(3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one

C19H19FO — CID 170782073

IUPAC(3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one
SMILESO=C1CCC[C@](Cc2ccc(F)cc2)(c2ccccc2)C1
InChIInChI=1S/C19H19FO/c20-17-10-8-15(9-11-17)13-19(12-4-7-18(21)14-19)16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2/t19-/m1/s1
InChIKeyDWYJHFRRAMGBES-LJQANCHMSA-N
MW282.36 g/mol
LogP4.45
Rot. Bonds3

About (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one

(3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one (PubChem CID 170782073) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one
PubChem CID170782073
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name(3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one
SMILESO=C1CCC[C@](Cc2ccc(F)cc2)(c2ccccc2)C1
InChIInChI=1S/C19H19FO/c20-17-10-8-15(9-11-17)13-19(12-4-7-18(21)14-19)16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2/t19-/m1/s1
InChIKeyDWYJHFRRAMGBES-LJQANCHMSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one (CID 170782073) is (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one is O=C1CCC[C@](Cc2ccc(F)cc2)(c2ccccc2)C1.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one?
The InChIKey is DWYJHFRRAMGBES-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FO/c20-17-10-8-15(9-11-17)13-19(12-4-7-18(21)14-19)16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2/t19-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one?
(3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one has a molecular weight of 282.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)methyl]-3-phenylcyclohexan-1-one is sourced from PubChem (CID 170782073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).