2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone

C15H16F4O — CID 114967621

IUPAC2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H16F4O/c16-13-7-6-11(9-12(13)15(17,18)19)14(20)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyDNMHINXGPVNVEA-UHFFFAOYSA-N
MW288.28 g/mol
LogP5.00
Rot. Bonds3

About 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone

2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 114967621) has the molecular formula C15H16F4O and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
PubChem CID114967621
Molecular FormulaC15H16F4O
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H16F4O/c16-13-7-6-11(9-12(13)15(17,18)19)14(20)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyDNMHINXGPVNVEA-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114969279
2-cycloheptyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291304
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
1-cyclopropyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 67614021
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291308
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114961945
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone (CID 114967621) is 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone is O=C(CC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DNMHINXGPVNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O/c16-13-7-6-11(9-12(13)15(17,18)19)14(20)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 288.28 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 114967621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).