2,2-difluoropropan-1-ol

C3H6F2O — CID 13394818

IUPAC2,2-difluoropropan-1-ol
SMILESCC(F)(F)CO
InChIInChI=1S/C3H6F2O/c1-3(4,5)2-6/h6H,2H2,1H3
InChIKeyCKLONJANQGBREW-UHFFFAOYSA-N
MW96.08 g/mol
LogP0.63
Rot. Bonds1

About 2,2-difluoropropan-1-ol

2,2-difluoropropan-1-ol (PubChem CID 13394818) has the molecular formula C3H6F2O and a molecular weight of 96.08 g/mol. Its IUPAC name is 2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name2,2-difluoropropan-1-ol
PubChem CID13394818
Molecular FormulaC3H6F2O
Molecular Weight96.08 g/mol
Exact Mass96.04
IUPAC Name2,2-difluoropropan-1-ol
SMILESCC(F)(F)CO
InChIInChI=1S/C3H6F2O/c1-3(4,5)2-6/h6H,2H2,1H3
InChIKeyCKLONJANQGBREW-UHFFFAOYSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.08
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropan-1-ol?
The IUPAC name of 2,2-difluoropropan-1-ol (CID 13394818) is 2,2-difluoropropan-1-ol.
What is the SMILES notation for 2,2-difluoropropan-1-ol?
The canonical SMILES for 2,2-difluoropropan-1-ol is CC(F)(F)CO.
What is the InChIKey of 2,2-difluoropropan-1-ol?
The InChIKey is CKLONJANQGBREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O/c1-3(4,5)2-6/h6H,2H2,1H3.
What are the key properties of 2,2-difluoropropan-1-ol?
2,2-difluoropropan-1-ol has a molecular weight of 96.08 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropan-1-ol is sourced from PubChem (CID 13394818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).