CAS 754-96-1|1H,1H,10H,10H-Perfluorodecane-1,10-diol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol|十六氟-1,10-癸二醇|...

General Information

Structure

Molecular Formula

C₁₀H₆F₁₆O₂

Molecular Mass

462.1278912

Exact Mass

462.01123095

Charge

InChI

InChI=1S/C10H6F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h27-28H,1-2H2

InChIKey

NSKCTPBWPZPFHW-UHFFFAOYSA-N

Canonic Smiles

OCC(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

OCC(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

Acid pKa

12.320049

H Acceptors

H Donor

LogD (pH = 5.5)

4.3964624

LogD (pH = 7.4)

4.396457

Log P

4.3964624

Molar Refractivity

51.8976

Polarizability

20.594109

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol

Synonyms

1H,1H,10H,10H-Perfluorodecane-1,10-diol2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol十六氟-1,10-癸二醇1H,1H,10H,10H-Perfluorodecane-1,10-diol 96%1H,1H,10H,10H-Perfluoro-1,10-decanediol1H,1H,10H,10H-全氟-1,10-癸二醇2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol

IUPAC name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID