3,3-difluorobutan-2-ol

C4H8F2O — CID 18353970

IUPAC3,3-difluorobutan-2-ol
SMILESCC(O)C(C)(F)F
InChIInChI=1S/C4H8F2O/c1-3(7)4(2,5)6/h3,7H,1-2H3
InChIKeyJQSJYSAELGZWIX-UHFFFAOYSA-N
MW110.10 g/mol
LogP1.02
Rot. Bonds1

About 3,3-difluorobutan-2-ol

3,3-difluorobutan-2-ol (PubChem CID 18353970) has the molecular formula C4H8F2O and a molecular weight of 110.10 g/mol. Its IUPAC name is 3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name3,3-difluorobutan-2-ol
PubChem CID18353970
Molecular FormulaC4H8F2O
Molecular Weight110.10 g/mol
Exact Mass110.05
IUPAC Name3,3-difluorobutan-2-ol
SMILESCC(O)C(C)(F)F
InChIInChI=1S/C4H8F2O/c1-3(7)4(2,5)6/h3,7H,1-2H3
InChIKeyJQSJYSAELGZWIX-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.10
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorobutan-2-ol?
The IUPAC name of 3,3-difluorobutan-2-ol (CID 18353970) is 3,3-difluorobutan-2-ol.
What is the SMILES notation for 3,3-difluorobutan-2-ol?
The canonical SMILES for 3,3-difluorobutan-2-ol is CC(O)C(C)(F)F.
What is the InChIKey of 3,3-difluorobutan-2-ol?
The InChIKey is JQSJYSAELGZWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O/c1-3(7)4(2,5)6/h3,7H,1-2H3.
What are the key properties of 3,3-difluorobutan-2-ol?
3,3-difluorobutan-2-ol has a molecular weight of 110.10 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorobutan-2-ol is sourced from PubChem (CID 18353970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).