1,1,2,6,6-pentafluorooctane

C8H13F5 — CID 175132784

IUPAC1,1,2,6,6-pentafluorooctane
SMILESCCC(F)(F)CCCC(F)C(F)F
InChIInChI=1S/C8H13F5/c1-2-8(12,13)5-3-4-6(9)7(10)11/h6-7H,2-5H2,1H3
InChIKeyJIBHDKQFJKKBAL-UHFFFAOYSA-N
MW204.18 g/mol
LogP3.81
Rot. Bonds6

About 1,1,2,6,6-pentafluorooctane

1,1,2,6,6-pentafluorooctane (PubChem CID 175132784) has the molecular formula C8H13F5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 1,1,2,6,6-pentafluorooctane.

Molecular Properties

Compound Name1,1,2,6,6-pentafluorooctane
PubChem CID175132784
Molecular FormulaC8H13F5
Molecular Weight204.18 g/mol
Exact Mass204.09
IUPAC Name1,1,2,6,6-pentafluorooctane
SMILESCCC(F)(F)CCCC(F)C(F)F
InChIInChI=1S/C8H13F5/c1-2-8(12,13)5-3-4-6(9)7(10)11/h6-7H,2-5H2,1H3
InChIKeyJIBHDKQFJKKBAL-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,2,6,6-pentafluorooctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluorooctane
CID 54258569
3,3-difluoropentan-1-amine
CID 84762152
6,6-difluoro-2,10-dimethylundecane
CID 169289858
2-amino-5,5-difluoroheptanoic acid;hydrochloride
CID 87211692
2-(4,4-difluorohexylsulfanyl)acetic acid
CID 88538798
5,5-difluoro-2-methylhept-1-ene
CID 154971061
5,5-difluorononane
CID 21410163
propyl 2-(4,4-difluorohexylsulfanyl)heptanoate
CID 87340814
butyl 2-(5,5-difluoroheptylsulfanyl)pentanoate
CID 87341304
1-(5,5-difluoroheptylsulfanyl)propyl acetate
CID 174660181
6,6-difluorooctadecan-2-amine
CID 174731685
2,2-difluoro-N,6-dimethylheptan-1-amine
CID 88588168

Frequently Asked Questions

What is the IUPAC name of 1,1,2,6,6-pentafluorooctane?
The IUPAC name of 1,1,2,6,6-pentafluorooctane (CID 175132784) is 1,1,2,6,6-pentafluorooctane.
What is the SMILES notation for 1,1,2,6,6-pentafluorooctane?
The canonical SMILES for 1,1,2,6,6-pentafluorooctane is CCC(F)(F)CCCC(F)C(F)F.
What is the InChIKey of 1,1,2,6,6-pentafluorooctane?
The InChIKey is JIBHDKQFJKKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5/c1-2-8(12,13)5-3-4-6(9)7(10)11/h6-7H,2-5H2,1H3.
What are the key properties of 1,1,2,6,6-pentafluorooctane?
1,1,2,6,6-pentafluorooctane has a molecular weight of 204.18 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,6,6-pentafluorooctane is sourced from PubChem (CID 175132784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).