2,2-difluorocyclobutan-1-ol

C4H6F2O — CID 131518457

IUPAC2,2-difluorocyclobutan-1-ol
SMILESOC1CCC1(F)F
InChIInChI=1S/C4H6F2O/c5-4(6)2-1-3(4)7/h3,7H,1-2H2
InChIKeyDJFLRJGNAIMTFV-UHFFFAOYSA-N
MW108.09 g/mol
LogP0.78
Rot. Bonds

About 2,2-difluorocyclobutan-1-ol

2,2-difluorocyclobutan-1-ol (PubChem CID 131518457) has the molecular formula C4H6F2O and a molecular weight of 108.09 g/mol. Its IUPAC name is 2,2-difluorocyclobutan-1-ol.

Molecular Properties

Compound Name2,2-difluorocyclobutan-1-ol
PubChem CID131518457
Molecular FormulaC4H6F2O
Molecular Weight108.09 g/mol
Exact Mass108.04
IUPAC Name2,2-difluorocyclobutan-1-ol
SMILESOC1CCC1(F)F
InChIInChI=1S/C4H6F2O/c5-4(6)2-1-3(4)7/h3,7H,1-2H2
InChIKeyDJFLRJGNAIMTFV-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

4,4,4-Trifluoro-1,3-butanediol
CID 5231717
3,3-Difluorocyclobutanol
CID 22500954
2,2,3,3-Tetrafluorocyclobutan-1-ol
CID 2776621
(3R)-4,4,4-Trifluoro-1,3-butanediol
CID 2779068
1,3-Butanediol, 4,4,4-trifluoro-, (S)-
CID 10307869
(1r,3r)-3-Fluorocyclobutan-1-ol
CID 53963649
3-(Difluoromethoxy)cyclobutanol
CID 131455676
Rac-(1s,3s)-3-(trifluoromethoxy)cyclobutan-1-ol
CID 137528106
1,1,4-Trifluorobutan-2-ol
CID 23506077
1,1,1,5,5,5-Hexafluoropentan-2-ol
CID 57193470
1,1,1,3,4,5,5-Heptafluoropentan-2-ol
CID 87880938
1,1,5-Trifluoropentan-2-ol
CID 90303171

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclobutan-1-ol?
The IUPAC name of 2,2-difluorocyclobutan-1-ol (CID 131518457) is 2,2-difluorocyclobutan-1-ol.
What is the SMILES notation for 2,2-difluorocyclobutan-1-ol?
The canonical SMILES for 2,2-difluorocyclobutan-1-ol is OC1CCC1(F)F.
What is the InChIKey of 2,2-difluorocyclobutan-1-ol?
The InChIKey is DJFLRJGNAIMTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O/c5-4(6)2-1-3(4)7/h3,7H,1-2H2.
What are the key properties of 2,2-difluorocyclobutan-1-ol?
2,2-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 2,2-difluorocyclobutan-1-ol is sourced from PubChem (CID 131518457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).