4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one

C14H15F3O2 — CID 142618374

IUPAC4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESCC1(c2ccc(OC(F)(F)F)cc2)CCC(=O)CC1
InChIInChI=1S/C14H15F3O2/c1-13(8-6-11(18)7-9-13)10-2-4-12(5-3-10)19-14(15,16)17/h2-5H,6-9H2,1H3
InChIKeyWOBCQHNZAHHBPD-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.99
Rot. Bonds2

About 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one

4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one (PubChem CID 142618374) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
PubChem CID142618374
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESCC1(c2ccc(OC(F)(F)F)cc2)CCC(=O)CC1
InChIInChI=1S/C14H15F3O2/c1-13(8-6-11(18)7-9-13)10-2-4-12(5-3-10)19-14(15,16)17/h2-5H,6-9H2,1H3
InChIKeyWOBCQHNZAHHBPD-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
CID 114520131
N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
CID 134332225
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
CID 67758972
tris[4-(trifluoromethoxy)phenyl] phosphate
CID 169101115
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 68673345
2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 155757621
7-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 115564979
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride
CID 134828084

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one (CID 142618374) is 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one is CC1(c2ccc(OC(F)(F)F)cc2)CCC(=O)CC1.
What is the InChIKey of 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The InChIKey is WOBCQHNZAHHBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-13(8-6-11(18)7-9-13)10-2-4-12(5-3-10)19-14(15,16)17/h2-5H,6-9H2,1H3.
What are the key properties of 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one?
4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one has a molecular weight of 272.27 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one is sourced from PubChem (CID 142618374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).