3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one

C12H12F2O — CID 81414961

IUPAC3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one
SMILESCc1cc(F)c(C2CC(=O)C2C)cc1F
InChIInChI=1S/C12H12F2O/c1-6-3-11(14)9(4-10(6)13)8-5-12(15)7(8)2/h3-4,7-8H,5H2,1-2H3
InChIKeyVZRFSNMGBUZIOV-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.97
Rot. Bonds1

About 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one

3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one (PubChem CID 81414961) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one
PubChem CID81414961
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one
SMILESCc1cc(F)c(C2CC(=O)C2C)cc1F
InChIInChI=1S/C12H12F2O/c1-6-3-11(14)9(4-10(6)13)8-5-12(15)7(8)2/h3-4,7-8H,5H2,1-2H3
InChIKeyVZRFSNMGBUZIOV-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(p-Tolyl)-2-butanone
CID 5463908
(+)-Turmerone
CID 160512
2-Methyl-6-(4-methylphenyl)hept-2-en-4-one
CID 558221
3-Benzyl-4-heptanone
CID 5463905
1,1,1-Trifluoro-8-phenyl-octan-2-one
CID 9813810
1,1,1-Trifluoro-7-phenyl-heptan-2-one
CID 9878121
3-Methyl-5-phenylcyclohex-2-en-1-one
CID 219473
3-Phenylbutan-2-one
CID 97744
3-Phenyl-2,4-pentanedione
CID 233402
1,1,1-Trifluoro-4-phenyl-2-butanone
CID 135767
1-(4-Methylphenyl)propan-2-one
CID 137428
1-Phenylpentan-3-one
CID 88701

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one?
The IUPAC name of 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one (CID 81414961) is 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one is Cc1cc(F)c(C2CC(=O)C2C)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one?
The InChIKey is VZRFSNMGBUZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c1-6-3-11(14)9(4-10(6)13)8-5-12(15)7(8)2/h3-4,7-8H,5H2,1-2H3.
What are the key properties of 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one?
3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one has a molecular weight of 210.22 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methylphenyl)-2-methylcyclobutan-1-one is sourced from PubChem (CID 81414961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).