1,2-difluorocyclobutan-1-ol

C4H6F2O — CID 54197601

IUPAC1,2-difluorocyclobutan-1-ol
SMILESOC1(F)CCC1F
InChIInChI=1S/C4H6F2O/c5-3-1-2-4(3,6)7/h3,7H,1-2H2
InChIKeyFKZSRMIGRHPTKT-UHFFFAOYSA-N
MW108.09 g/mol
LogP0.78
Rot. Bonds

About 1,2-difluorocyclobutan-1-ol

1,2-difluorocyclobutan-1-ol (PubChem CID 54197601) has the molecular formula C4H6F2O and a molecular weight of 108.09 g/mol. Its IUPAC name is 1,2-difluorocyclobutan-1-ol.

Molecular Properties

Compound Name1,2-difluorocyclobutan-1-ol
PubChem CID54197601
Molecular FormulaC4H6F2O
Molecular Weight108.09 g/mol
Exact Mass108.04
IUPAC Name1,2-difluorocyclobutan-1-ol
SMILESOC1(F)CCC1F
InChIInChI=1S/C4H6F2O/c5-3-1-2-4(3,6)7/h3,7H,1-2H2
InChIKeyFKZSRMIGRHPTKT-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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Related Compounds

1-amino-2-fluorocyclohexan-1-ol
CID 172807708
1,2-difluorocyclopentane-1-carbonyl chloride
CID 87187627
trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid
CID 119094489
5-fluoroazocane-4,4-diol
CID 166878743
1-[(4-fluoropiperidin-1-yl)methyl]cyclopentan-1-ol
CID 126846312
1-chloro-1,2-difluorocyclopropane
CID 69232639
1-fluorobicyclo[2.2.0]hexane
CID 91806231
1-fluorocyclohexane-1,3-diol
CID 175445441
(3R)-3-fluoro-2,2,6,6-tetramethylpiperidine
CID 175086193
(5S)-4,4,5-trifluoroazepane
CID 124556119
1,4-difluorocyclohexane-1-carboxylic acid
CID 141145734
(1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
CID 163686021

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorocyclobutan-1-ol?
The IUPAC name of 1,2-difluorocyclobutan-1-ol (CID 54197601) is 1,2-difluorocyclobutan-1-ol.
What is the SMILES notation for 1,2-difluorocyclobutan-1-ol?
The canonical SMILES for 1,2-difluorocyclobutan-1-ol is OC1(F)CCC1F.
What is the InChIKey of 1,2-difluorocyclobutan-1-ol?
The InChIKey is FKZSRMIGRHPTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O/c5-3-1-2-4(3,6)7/h3,7H,1-2H2.
What are the key properties of 1,2-difluorocyclobutan-1-ol?
1,2-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 1,2-difluorocyclobutan-1-ol is sourced from PubChem (CID 54197601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).