4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol

C6H7F7O — CID 542739

IUPAC4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
SMILESOCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c7-4(2-1-3-14,5(8,9)10)6(11,12)13/h14H,1-3H2
InChIKeyNMPABPRKIBGSGW-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.59
Rot. Bonds3

About 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol

4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol (PubChem CID 542739) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
PubChem CID542739
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
SMILESOCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c7-4(2-1-3-14,5(8,9)10)6(11,12)13/h14H,1-3H2
InChIKeyNMPABPRKIBGSGW-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol 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

2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
CID 9641
3,3,4,4,5,5,5-Heptafluoropentan-1-ol
CID 2782534
4,4,5,5,5-Pentafluoropentan-1-ol
CID 547967
2,2,3,3-Tetrafluorocyclobutanemethanol
CID 101666
3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexan-1-ol
CID 2776218
1H,1H-Nonafluoropentan-1-ol
CID 2782394
1H,1H,3H-Perfluoro(2,4-dimethylpentan-1-ol)
CID 2782564
4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
CID 2782601
2(Perfluoro-2-propyl)ethanol
CID 2782615
2,2,3,4,4,4-Hexafluoro-3-(trifluoromethyl)butan-1-ol
CID 44717703
4,4,5,5-Tetrafluoropentan-1-ol
CID 54145160
4,5,5,5-Tetrafluoropentan-1-ol
CID 155546328

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol (CID 542739) is 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol is OCCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol?
The InChIKey is NMPABPRKIBGSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c7-4(2-1-3-14,5(8,9)10)6(11,12)13/h14H,1-3H2.
What are the key properties of 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol?
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol has a molecular weight of 228.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 542739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).