3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one

C14H15F3O — CID 102755976

IUPAC3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCc1cc(C(F)(F)F)ccc1C1(C)CCC(=O)C1
InChIInChI=1S/C14H15F3O/c1-9-7-10(14(15,16)17)3-4-12(9)13(2)6-5-11(18)8-13/h3-4,7H,5-6,8H2,1-2H3
InChIKeyPMSUESQZFRNWCM-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.02
Rot. Bonds1

About 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one

3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 102755976) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID102755976
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCc1cc(C(F)(F)F)ccc1C1(C)CCC(=O)C1
InChIInChI=1S/C14H15F3O/c1-9-7-10(14(15,16)17)3-4-12(9)13(2)6-5-11(18)8-13/h3-4,7H,5-6,8H2,1-2H3
InChIKeyPMSUESQZFRNWCM-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 102751652
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
CID 116538548
4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102752194
3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538479
[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
CID 177136482
(3S)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 134963192
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
4,4-dimethyl-2-[2-methyl-4-(trifluoromethyl)benzenecarbothioyl]cyclohexane-1,3-dione
CID 19911138
3-[2-methyl-4-(trifluoromethyl)phenyl]oxan-3-amine
CID 102752185
2-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 102751617
(2S)-1-methyl-7-(trifluoromethyl)spiro[1,5,10,10a-tetrahydropyrrolo[1,2-b]isoquinoline-2,3'-cyclopentane]-1',3-dione
CID 70960541

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 102755976) is 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one is Cc1cc(C(F)(F)F)ccc1C1(C)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is PMSUESQZFRNWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-9-7-10(14(15,16)17)3-4-12(9)13(2)6-5-11(18)8-13/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 256.27 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 102755976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).