(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one

C15H17ClFNO2 — CID 71739167

IUPAC(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one
SMILESO=C(/C(F)=C(/CCCl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H17ClFNO2/c16-7-6-13(12-4-2-1-3-5-12)14(17)15(19)18-8-10-20-11-9-18/h1-5H,6-11H2/b14-13+
InChIKeyNODBJHKKNRBLCQ-BUHFOSPRSA-N
MW297.76 g/mol
LogP2.85
Rot. Bonds4

About (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one

(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one (PubChem CID 71739167) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one
PubChem CID71739167
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC Name(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one
SMILESO=C(/C(F)=C(/CCCl)c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H17ClFNO2/c16-7-6-13(12-4-2-1-3-5-12)14(17)15(19)18-8-10-20-11-9-18/h1-5H,6-11H2/b14-13+
InChIKeyNODBJHKKNRBLCQ-BUHFOSPRSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one
CID 71741100
(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
CID 11380289
bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
CID 139194609
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide
CID 118873019
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-(morpholin-4-ylmethylidene)benzamide
CID 71741109
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
benzoic acid;oxane
CID 158907979
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829

Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one?
The IUPAC name of (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one (CID 71739167) is (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one.
What is the SMILES notation for (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one?
The canonical SMILES for (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one is O=C(/C(F)=C(/CCCl)c1ccccc1)N1CCOCC1.
What is the InChIKey of (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one?
The InChIKey is NODBJHKKNRBLCQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c16-7-6-13(12-4-2-1-3-5-12)14(17)15(19)18-8-10-20-11-9-18/h1-5H,6-11H2/b14-13+.
What are the key properties of (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one?
(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one has a molecular weight of 297.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one is sourced from PubChem (CID 71739167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).