4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine

C11H13ClFNO — CID 123330705

IUPAC4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine
SMILESCONC(=CCc1ccc(Cl)cc1)CF
InChIInChI=1S/C11H13ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-7,14H,4,8H2,1H3
InChIKeyWLQPGZAPMGAABW-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.89
Rot. Bonds5

About 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine

4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine (PubChem CID 123330705) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine
PubChem CID123330705
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine
SMILESCONC(=CCc1ccc(Cl)cc1)CF
InChIInChI=1S/C11H13ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-7,14H,4,8H2,1H3
InChIKeyWLQPGZAPMGAABW-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Chloro-4-(2-nitropropenyl)-benzene
CID 708815
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1-(4-Chlorophenyl)-2-nitropropene
CID 1809354
1-Chloro-4-[(1E)-2-nitrobut-1-EN-1-YL]benzene
CID 5354640
1-(4-Chlorophenyl)-N-methoxypropan-2-amine--hydrogen chloride (1/1)
CID 24841286
N-Hydroxychlorphentermine
CID 162123
1-(4-chlorophenyl)-N-methoxypropan-2-amine
CID 5135042
N-[3-(4-chlorophenyl)-1-fluoromethyl-propyl]-O-methyl-hydroxylamine
CID 54673464
1-(3-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57049882
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(2-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57087609
4-(4-chloro-phenyl)-1-fluoro-butan-2-one O-methyl-oxime
CID 86679082

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine (CID 123330705) is 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine is CONC(=CCc1ccc(Cl)cc1)CF.
What is the InChIKey of 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine?
The InChIKey is WLQPGZAPMGAABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-7,14H,4,8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine?
4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine has a molecular weight of 229.68 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine is sourced from PubChem (CID 123330705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).