1-(difluoromethyl)cyclobutan-1-ol

C5H8F2O — CID 80611609

IUPAC1-(difluoromethyl)cyclobutan-1-ol
SMILESOC1(C(F)F)CCC1
InChIInChI=1S/C5H8F2O/c6-4(7)5(8)2-1-3-5/h4,8H,1-3H2
InChIKeyYGBWDIVNTMHPRE-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.17
Rot. Bonds1

About 1-(difluoromethyl)cyclobutan-1-ol

1-(difluoromethyl)cyclobutan-1-ol (PubChem CID 80611609) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(difluoromethyl)cyclobutan-1-ol
PubChem CID80611609
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name1-(difluoromethyl)cyclobutan-1-ol
SMILESOC1(C(F)F)CCC1
InChIInChI=1S/C5H8F2O/c6-4(7)5(8)2-1-3-5/h4,8H,1-3H2
InChIKeyYGBWDIVNTMHPRE-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclobutan-1-ol?
The IUPAC name of 1-(difluoromethyl)cyclobutan-1-ol (CID 80611609) is 1-(difluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(difluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(difluoromethyl)cyclobutan-1-ol is OC1(C(F)F)CCC1.
What is the InChIKey of 1-(difluoromethyl)cyclobutan-1-ol?
The InChIKey is YGBWDIVNTMHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c6-4(7)5(8)2-1-3-5/h4,8H,1-3H2.
What are the key properties of 1-(difluoromethyl)cyclobutan-1-ol?
1-(difluoromethyl)cyclobutan-1-ol has a molecular weight of 122.11 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 80611609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).