5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol

C7H7F9O — CID 53412892

IUPAC5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol
SMILESOCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c8-5(9,10)4(2-1-3-17,6(11,12)13)7(14,15)16/h17H,1-3H2
InChIKeyUJCNFCSCLGBVAN-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.43
Rot. Bonds3

About 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol

5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol (PubChem CID 53412892) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol
PubChem CID53412892
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol
SMILESOCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c8-5(9,10)4(2-1-3-17,6(11,12)13)7(14,15)16/h17H,1-3H2
InChIKeyUJCNFCSCLGBVAN-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5,5-trifluoro-4,4-bis(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

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol (CID 53412892) is 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol is OCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol?
The InChIKey is UJCNFCSCLGBVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c8-5(9,10)4(2-1-3-17,6(11,12)13)7(14,15)16/h17H,1-3H2.
What are the key properties of 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol?
5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol has a molecular weight of 278.11 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 53412892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).