3,3-difluorocyclobutan-1-ol

C4H6F2O — CID 22500954

IUPAC3,3-difluorocyclobutan-1-ol
SMILESOC1CC(F)(F)C1
InChIInChI=1S/C4H6F2O/c5-4(6)1-3(7)2-4/h3,7H,1-2H2
InChIKeyBFLCYDVYEGKWSQ-UHFFFAOYSA-N
MW108.09 g/mol
LogP0.78
Rot. Bonds

About 3,3-difluorocyclobutan-1-ol

3,3-difluorocyclobutan-1-ol (PubChem CID 22500954) has the molecular formula C4H6F2O and a molecular weight of 108.09 g/mol. Its IUPAC name is 3,3-difluorocyclobutan-1-ol.

Molecular Properties

Compound Name3,3-difluorocyclobutan-1-ol
PubChem CID22500954
Molecular FormulaC4H6F2O
Molecular Weight108.09 g/mol
Exact Mass108.04
IUPAC Name3,3-difluorocyclobutan-1-ol
SMILESOC1CC(F)(F)C1
InChIInChI=1S/C4H6F2O/c5-4(6)1-3(7)2-4/h3,7H,1-2H2
InChIKeyBFLCYDVYEGKWSQ-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorocyclobutan-1-ol?
The IUPAC name of 3,3-difluorocyclobutan-1-ol (CID 22500954) is 3,3-difluorocyclobutan-1-ol.
What is the SMILES notation for 3,3-difluorocyclobutan-1-ol?
The canonical SMILES for 3,3-difluorocyclobutan-1-ol is OC1CC(F)(F)C1.
What is the InChIKey of 3,3-difluorocyclobutan-1-ol?
The InChIKey is BFLCYDVYEGKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O/c5-4(6)1-3(7)2-4/h3,7H,1-2H2.
What are the key properties of 3,3-difluorocyclobutan-1-ol?
3,3-difluorocyclobutan-1-ol has a molecular weight of 108.09 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorocyclobutan-1-ol is sourced from PubChem (CID 22500954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).