1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one

C10H16F2O — CID 155710323

IUPAC1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(C(C)(F)F)CCC1
InChIInChI=1S/C10H16F2O/c1-7(2)8(13)10(5-4-6-10)9(3,11)12/h7H,4-6H2,1-3H3
InChIKeyLGYYFPHMKYANHI-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one

1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one (PubChem CID 155710323) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one
PubChem CID155710323
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(C(C)(F)F)CCC1
InChIInChI=1S/C10H16F2O/c1-7(2)8(13)10(5-4-6-10)9(3,11)12/h7H,4-6H2,1-3H3
InChIKeyLGYYFPHMKYANHI-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-difluoroethyl)cyclopentane-1-carboxylic acid
CID 84767538
1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid
CID 83815694
2-[1-(1,1-difluoroethyl)cyclobutyl]propanamide
CID 142900456
1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane
CID 158696217
1-(1-tert-butylcyclobutyl)ethanone
CID 58530463
2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
CID 176614706
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
4-(1,1-difluoroethyl)oxane-4-carboxylic acid
CID 84773053
4-(1,1-difluoroethyl)piperidine-4-carboxylic acid
CID 84772593
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide
CID 166548312
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
CID 164836434

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one (CID 155710323) is 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one is CC(C)C(=O)C1(C(C)(F)F)CCC1.
What is the InChIKey of 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one?
The InChIKey is LGYYFPHMKYANHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-7(2)8(13)10(5-4-6-10)9(3,11)12/h7H,4-6H2,1-3H3.
What are the key properties of 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one?
1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one has a molecular weight of 190.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one is sourced from PubChem (CID 155710323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).