(3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one

C17H16FNO2 — CID 151290165

IUPAC(3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one
SMILESC[C@]1(c2ccc(F)cc2)C(=O)OCCN1c1ccccc1
InChIInChI=1S/C17H16FNO2/c1-17(13-7-9-14(18)10-8-13)16(20)21-12-11-19(17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/t17-/m0/s1
InChIKeyOAGLXOMGYCQQRF-KRWDZBQOSA-N
MW285.32 g/mol
LogP3.10
Rot. Bonds2

About (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one

(3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one (PubChem CID 151290165) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one
PubChem CID151290165
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one
SMILESC[C@]1(c2ccc(F)cc2)C(=O)OCCN1c1ccccc1
InChIInChI=1S/C17H16FNO2/c1-17(13-7-9-14(18)10-8-13)16(20)21-12-11-19(17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/t17-/m0/s1
InChIKeyOAGLXOMGYCQQRF-KRWDZBQOSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one?
The IUPAC name of (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one (CID 151290165) is (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one is C[C@]1(c2ccc(F)cc2)C(=O)OCCN1c1ccccc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one?
The InChIKey is OAGLXOMGYCQQRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-17(13-7-9-14(18)10-8-13)16(20)21-12-11-19(17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one?
(3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-3-methyl-4-phenylmorpholin-2-one is sourced from PubChem (CID 151290165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).