4,4-bis(4-fluorophenyl)cyclohexan-1-one

C18H16F2O — CID 21295671

IUPAC4,4-bis(4-fluorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16F2O/c19-15-5-1-13(2-6-15)18(11-9-17(21)10-12-18)14-3-7-16(20)8-4-14/h1-8H,9-12H2
InChIKeyJTZRUHGVAQOPSE-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.39
Rot. Bonds2

About 4,4-bis(4-fluorophenyl)cyclohexan-1-one

4,4-bis(4-fluorophenyl)cyclohexan-1-one (PubChem CID 21295671) has the molecular formula C18H16F2O and a molecular weight of 286.32 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)cyclohexan-1-one
PubChem CID21295671
Molecular FormulaC18H16F2O
Molecular Weight286.32 g/mol
Exact Mass286.12
IUPAC Name4,4-bis(4-fluorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16F2O/c19-15-5-1-13(2-6-15)18(11-9-17(21)10-12-18)14-3-7-16(20)8-4-14/h1-8H,9-12H2
InChIKeyJTZRUHGVAQOPSE-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)cyclohexan-1-one?
The IUPAC name of 4,4-bis(4-fluorophenyl)cyclohexan-1-one (CID 21295671) is 4,4-bis(4-fluorophenyl)cyclohexan-1-one.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)cyclohexan-1-one?
The canonical SMILES for 4,4-bis(4-fluorophenyl)cyclohexan-1-one is O=C1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)CC1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)cyclohexan-1-one?
The InChIKey is JTZRUHGVAQOPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O/c19-15-5-1-13(2-6-15)18(11-9-17(21)10-12-18)14-3-7-16(20)8-4-14/h1-8H,9-12H2.
What are the key properties of 4,4-bis(4-fluorophenyl)cyclohexan-1-one?
4,4-bis(4-fluorophenyl)cyclohexan-1-one has a molecular weight of 286.32 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)cyclohexan-1-one is sourced from PubChem (CID 21295671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).