(5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one

C19H16F2O2 — CID 46904777

IUPAC(5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one
SMILESCOc1c(F)cccc1C1=CC(=O)C[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F2O2/c1-23-19-17(3-2-4-18(19)21)14-9-13(10-16(22)11-14)12-5-7-15(20)8-6-12/h2-8,11,13H,9-10H2,1H3/t13-/m1/s1
InChIKeyYCJVMUJEUFYVJQ-CYBMUJFWSA-N
MW314.33 g/mol
LogP4.50
Rot. Bonds3

About (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one

(5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one (PubChem CID 46904777) has the molecular formula C19H16F2O2 and a molecular weight of 314.33 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one
PubChem CID46904777
Molecular FormulaC19H16F2O2
Molecular Weight314.33 g/mol
Exact Mass314.11
IUPAC Name(5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one
SMILESCOc1c(F)cccc1C1=CC(=O)C[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F2O2/c1-23-19-17(3-2-4-18(19)21)14-9-13(10-16(22)11-14)12-5-7-15(20)8-6-12/h2-8,11,13H,9-10H2,1H3/t13-/m1/s1
InChIKeyYCJVMUJEUFYVJQ-CYBMUJFWSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one (CID 46904777) is (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one is COc1c(F)cccc1C1=CC(=O)C[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one?
The InChIKey is YCJVMUJEUFYVJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16F2O2/c1-23-19-17(3-2-4-18(19)21)14-9-13(10-16(22)11-14)12-5-7-15(20)8-6-12/h2-8,11,13H,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one?
(5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one has a molecular weight of 314.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 46904777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).