CAS 307-37-9|1H,1H-Perfluorodecan-1-ol 98%|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol|1H,1H-Perfluoro-1-decan...

General Information

Structure

Molecular Formula

C₁₀H₃F₁₉O

Molecular Mass

500.0998808

Exact Mass

499.9880509

Charge

InChI

InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h30H,1H2

InChIKey

NIRPXSQCRWXHNZ-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

FC(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

Acid pKa

12.621079

H Acceptors

H Donor

LogD (pH = 5.5)

6.041661

LogD (pH = 7.4)

6.0416584

Log P

6.041661

Molar Refractivity

51.0554

Polarizability

20.33138

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

1H,1H-Perfluorodecan-1-ol 98%1H,1H-Perfluoro-1-decanol1H,1H-全氟-1-十醇2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-decanol2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-decanol1H,1H-全氟-1-正癸醇1H,1H-Perfluoro-1-decanol

IUPAC Traditional name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol

IUPAC name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol

Names and Identifiers

Registration numbers

CAS Number

307-37-9

MDL Number

MFCD00153234

EC Number

000-000-0