1-(2,2-difluorocyclobutyl)ethanol

C6H10F2O — CID 131518456

IUPAC1-(2,2-difluorocyclobutyl)ethanol
SMILESCC(O)C1CCC1(F)F
InChIInChI=1S/C6H10F2O/c1-4(9)5-2-3-6(5,7)8/h4-5,9H,2-3H2,1H3
InChIKeyFOMRGKLZMRQYJH-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.41
Rot. Bonds1

About 1-(2,2-difluorocyclobutyl)ethanol

1-(2,2-difluorocyclobutyl)ethanol (PubChem CID 131518456) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 1-(2,2-difluorocyclobutyl)ethanol.

Molecular Properties

Compound Name1-(2,2-difluorocyclobutyl)ethanol
PubChem CID131518456
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name1-(2,2-difluorocyclobutyl)ethanol
SMILESCC(O)C1CCC1(F)F
InChIInChI=1S/C6H10F2O/c1-4(9)5-2-3-6(5,7)8/h4-5,9H,2-3H2,1H3
InChIKeyFOMRGKLZMRQYJH-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclobutyl)ethanol?
The IUPAC name of 1-(2,2-difluorocyclobutyl)ethanol (CID 131518456) is 1-(2,2-difluorocyclobutyl)ethanol.
What is the SMILES notation for 1-(2,2-difluorocyclobutyl)ethanol?
The canonical SMILES for 1-(2,2-difluorocyclobutyl)ethanol is CC(O)C1CCC1(F)F.
What is the InChIKey of 1-(2,2-difluorocyclobutyl)ethanol?
The InChIKey is FOMRGKLZMRQYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4(9)5-2-3-6(5,7)8/h4-5,9H,2-3H2,1H3.
What are the key properties of 1-(2,2-difluorocyclobutyl)ethanol?
1-(2,2-difluorocyclobutyl)ethanol has a molecular weight of 136.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclobutyl)ethanol is sourced from PubChem (CID 131518456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).