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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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).