(3,3-difluoro-1-methylcyclobutyl)methanol

C6H10F2O — CID 58564885

IUPAC(3,3-difluoro-1-methylcyclobutyl)methanol
SMILESCC1(CO)CC(F)(F)C1
InChIInChI=1S/C6H10F2O/c1-5(4-9)2-6(7,8)3-5/h9H,2-4H2,1H3
InChIKeyCJAWZBDZCFSXMU-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.41
Rot. Bonds1

About (3,3-difluoro-1-methylcyclobutyl)methanol

(3,3-difluoro-1-methylcyclobutyl)methanol (PubChem CID 58564885) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is (3,3-difluoro-1-methylcyclobutyl)methanol.

Molecular Properties

Compound Name(3,3-difluoro-1-methylcyclobutyl)methanol
PubChem CID58564885
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name(3,3-difluoro-1-methylcyclobutyl)methanol
SMILESCC1(CO)CC(F)(F)C1
InChIInChI=1S/C6H10F2O/c1-5(4-9)2-6(7,8)3-5/h9H,2-4H2,1H3
InChIKeyCJAWZBDZCFSXMU-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 (3,3-difluoro-1-methylcyclobutyl)methanol?
The IUPAC name of (3,3-difluoro-1-methylcyclobutyl)methanol (CID 58564885) is (3,3-difluoro-1-methylcyclobutyl)methanol.
What is the SMILES notation for (3,3-difluoro-1-methylcyclobutyl)methanol?
The canonical SMILES for (3,3-difluoro-1-methylcyclobutyl)methanol is CC1(CO)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-methylcyclobutyl)methanol?
The InChIKey is CJAWZBDZCFSXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-5(4-9)2-6(7,8)3-5/h9H,2-4H2,1H3.
What are the key properties of (3,3-difluoro-1-methylcyclobutyl)methanol?
(3,3-difluoro-1-methylcyclobutyl)methanol 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 (3,3-difluoro-1-methylcyclobutyl)methanol is sourced from PubChem (CID 58564885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).