4,4-difluoropentan-2-ol

C5H10F2O — CID 54493083

IUPAC4,4-difluoropentan-2-ol
SMILESCC(O)CC(C)(F)F
InChIInChI=1S/C5H10F2O/c1-4(8)3-5(2,6)7/h4,8H,3H2,1-2H3
InChIKeyLZNGWZSYAGQHSC-UHFFFAOYSA-N
MW124.13 g/mol
LogP1.41
Rot. Bonds2

About 4,4-difluoropentan-2-ol

4,4-difluoropentan-2-ol (PubChem CID 54493083) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 4,4-difluoropentan-2-ol.

Molecular Properties

Compound Name4,4-difluoropentan-2-ol
PubChem CID54493083
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name4,4-difluoropentan-2-ol
SMILESCC(O)CC(C)(F)F
InChIInChI=1S/C5H10F2O/c1-4(8)3-5(2,6)7/h4,8H,3H2,1-2H3
InChIKeyLZNGWZSYAGQHSC-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-difluoropentan-2-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

3,3,4,4-Tetrafluoro-2-butanol, tech.
CID 28533
3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 78992
3,3,4,4,4-Pentafluorobutan-2-ol
CID 78991
5,5,5-Trifluoropentan-1-ol
CID 2769672
2,2-Difluorobutan-1-ol
CID 21880591
3,3-Difluoropentan-1-ol
CID 53682984
3,3-Difluorobutan-1-ol
CID 53831960
4,4-Difluoropentan-1-ol
CID 54148084
2-Butanol, 4,4-difluoro-
CID 46412
1-(2H-Perfluoropropyl)ethanol
CID 2775019
1,1,1-Trifluorobutan-2-ol
CID 11332471
5,5,5-Trifluoropentan-2-ol
CID 13620753

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropentan-2-ol?
The IUPAC name of 4,4-difluoropentan-2-ol (CID 54493083) is 4,4-difluoropentan-2-ol.
What is the SMILES notation for 4,4-difluoropentan-2-ol?
The canonical SMILES for 4,4-difluoropentan-2-ol is CC(O)CC(C)(F)F.
What is the InChIKey of 4,4-difluoropentan-2-ol?
The InChIKey is LZNGWZSYAGQHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-4(8)3-5(2,6)7/h4,8H,3H2,1-2H3.
What are the key properties of 4,4-difluoropentan-2-ol?
4,4-difluoropentan-2-ol has a molecular weight of 124.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropentan-2-ol is sourced from PubChem (CID 54493083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).