CAS 54009-81-3|2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane|3-(Perfluoro-3-methylbutyl)-1,2-propenoxide|2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane|1H,1H,2H,3H...

General Information

Structure

Molecular Formula

C₈H₅F₁₁O

Molecular Mass

326.1071352

Exact Mass

326.0164752

Charge

InChI

InChI=1S/C8H5F11O/c9-4(10,1-3-2-20-3)6(12,13)5(11,7(14,15)16)8(17,18)19/h3H,1-2H2

InChIKey

BKXKCZGEIQKTBI-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(CC1OC1)F

Isomeric Smiles

C(C(C(CC1OC1)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.779098

LogD (pH = 7.4)

3.779098

Log P

3.779098

Molar Refractivity

39.5617

Polarizability

15.325793

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-(Perfluoro-3-methylbutyl)-1,2-propenoxide1H,1H,2H,3H,3H-Perfluoro(1,2-epoxy-6-methylheptane)3-(Perfluoro-3-methylbutyl)-1,2-propenoxide 97%[2,2,3,3,4,5,5,5-八氟-4-(三氟甲基)戊基]环氧乙烷[2,2,3,3,4,5,5,5-Octafluoro-4-(trifluoromethyl)pentyl]oxirane

IUPAC Traditional name

2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane

IUPAC name

2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane

Names and Identifiers

Registration numbers

MDL Number

MFCD00236087

CAS Number

54009-81-3

PubChem SID

16097226424870959