4-(3,3-difluorocyclobutyl)butan-2-one

C8H12F2O — CID 130963893

IUPAC4-(3,3-difluorocyclobutyl)butan-2-one
SMILESCC(=O)CCC1CC(F)(F)C1
InChIInChI=1S/C8H12F2O/c1-6(11)2-3-7-4-8(9,10)5-7/h7H,2-5H2,1H3
InChIKeyIBSOHQPKKKISQG-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.40
Rot. Bonds3

About 4-(3,3-difluorocyclobutyl)butan-2-one

4-(3,3-difluorocyclobutyl)butan-2-one (PubChem CID 130963893) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 4-(3,3-difluorocyclobutyl)butan-2-one.

Molecular Properties

Compound Name4-(3,3-difluorocyclobutyl)butan-2-one
PubChem CID130963893
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name4-(3,3-difluorocyclobutyl)butan-2-one
SMILESCC(=O)CCC1CC(F)(F)C1
InChIInChI=1S/C8H12F2O/c1-6(11)2-3-7-4-8(9,10)5-7/h7H,2-5H2,1H3
InChIKeyIBSOHQPKKKISQG-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
CID 134971339
4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 167520283
3-amino-4-(3,3-difluorocyclobutyl)butan-2-one
CID 142882728
4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
4-(3,4,5-trimethylcyclohexyl)butan-2-one
CID 123855820
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
3-ethyl-1,1-difluorocyclobutane
CID 67229999
2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
CID 167948584
5-(4-fluoro-4-methylcyclohexyl)hexan-2-one
CID 166775882
ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane
CID 144773863
4-[(1R,2S)-2-methylcyclopropyl]butan-2-one
CID 45085231
acetic acid;3,3-difluorocyclobutane-1-thiol
CID 175132258

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclobutyl)butan-2-one?
The IUPAC name of 4-(3,3-difluorocyclobutyl)butan-2-one (CID 130963893) is 4-(3,3-difluorocyclobutyl)butan-2-one.
What is the SMILES notation for 4-(3,3-difluorocyclobutyl)butan-2-one?
The canonical SMILES for 4-(3,3-difluorocyclobutyl)butan-2-one is CC(=O)CCC1CC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluorocyclobutyl)butan-2-one?
The InChIKey is IBSOHQPKKKISQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-6(11)2-3-7-4-8(9,10)5-7/h7H,2-5H2,1H3.
What are the key properties of 4-(3,3-difluorocyclobutyl)butan-2-one?
4-(3,3-difluorocyclobutyl)butan-2-one has a molecular weight of 162.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclobutyl)butan-2-one is sourced from PubChem (CID 130963893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).