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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Related Compounds

4,4-bis(4-methylphenyl)cyclohexan-1-one
CID 58095705
3,3-bis(4-methylphenyl)cyclopentan-1-one
CID 58095636
4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one
CID 71245096
5-[1-(4-fluorophenyl)cyclopropyl]-1,2-dihydropyridazine-3,4-dione
CID 118368631
1-(4-fluorophenyl)-3-oxocyclohexane-1-carboxylic acid
CID 118990070
3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one
CID 137103839
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
[1-(4-fluorophenyl)cyclopropyl]phosphane
CID 176989179
(2S)-2-(chloromethyl)-2-(4-fluorophenyl)cyclopentan-1-one
CID 125477245
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 67357191
(2R)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 172627580

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).