6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one

C14H10F4O — CID 165436472

IUPAC6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one
SMILESCC1(c2ccc(F)cc2)C=CC=C(C(F)(F)F)C1=O
InChIInChI=1S/C14H10F4O/c1-13(9-4-6-10(15)7-5-9)8-2-3-11(12(13)19)14(16,17)18/h2-8H,1H3
InChIKeyMYXBDFGNIALYLK-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.71
Rot. Bonds1

About 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one

6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one (PubChem CID 165436472) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one
PubChem CID165436472
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one
SMILESCC1(c2ccc(F)cc2)C=CC=C(C(F)(F)F)C1=O
InChIInChI=1S/C14H10F4O/c1-13(9-4-6-10(15)7-5-9)8-2-3-11(12(13)19)14(16,17)18/h2-8H,1H3
InChIKeyMYXBDFGNIALYLK-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phenyl-1,4-benzoquinone
CID 9688
Valerophenone
CID 66093
4,4'-Difluorobenzophenone
CID 9582
2,2,2-Trifluoroacetophenone
CID 9905
4'-Fluoroacetophenone
CID 9828
4,4'-Difluorobenzil
CID 123072
2-Cyclohexen-1-one, 3-phenyl-
CID 82567
Pivalophenone
CID 70308
3'-(Trifluoromethyl)chalcone
CID 6115271
1-(4-Fluorophenyl)pentan-1-one
CID 69729
1,1,1-Trifluoro-3-phenyl-2-propanone
CID 222958
4-Fluorochalcone
CID 5366988

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one (CID 165436472) is 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one is CC1(c2ccc(F)cc2)C=CC=C(C(F)(F)F)C1=O.
What is the InChIKey of 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is MYXBDFGNIALYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-13(9-4-6-10(15)7-5-9)8-2-3-11(12(13)19)14(16,17)18/h2-8H,1H3.
What are the key properties of 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 270.23 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 165436472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).