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

C19H23F3O2 — CID 67758972

IUPAC4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
SMILESO=C1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C19H23F3O2/c20-19(21,22)24-18-11-7-16(8-12-18)14-3-1-13(2-4-14)15-5-9-17(23)10-6-15/h7-8,11-15H,1-6,9-10H2
InChIKeyNGWXFDLSGHAHEQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.62
Rot. Bonds3

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

4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one (PubChem CID 67758972) has the molecular formula C19H23F3O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
PubChem CID67758972
Molecular FormulaC19H23F3O2
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
SMILESO=C1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C19H23F3O2/c20-19(21,22)24-18-11-7-16(8-12-18)14-3-1-13(2-4-14)15-5-9-17(23)10-6-15/h7-8,11-15H,1-6,9-10H2
InChIKeyNGWXFDLSGHAHEQ-UHFFFAOYSA-N
XLogP5.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 159374732
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 154531292
1-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]-4-(trifluoromethoxy)benzene
CID 162570074
(Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 67589332
1-[4-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 18689218
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
CID 123473619
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 59734847
4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexen-1-yl]benzene
CID 88993385
(E)-4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-enoic acid
CID 67844168
1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 134257812

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one?
The IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one (CID 67758972) is 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one is O=C1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one?
The InChIKey is NGWXFDLSGHAHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3O2/c20-19(21,22)24-18-11-7-16(8-12-18)14-3-1-13(2-4-14)15-5-9-17(23)10-6-15/h7-8,11-15H,1-6,9-10H2.
What are the key properties of 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one?
4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one has a molecular weight of 340.38 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one is sourced from PubChem (CID 67758972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).