(Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine

C11H13ClFNO — CID 123464172

IUPAC(Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine
SMILESCON/C(=C\CCCl)c1ccc(F)cc1
InChIInChI=1S/C11H13ClFNO/c1-15-14-11(3-2-8-12)9-4-6-10(13)7-5-9/h3-7,14H,2,8H2,1H3/b11-3-
InChIKeyJNHISYIRUPLPAC-JYOAFUTRSA-N
MW229.68 g/mol
LogP2.95
Rot. Bonds5

About (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine

(Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine (PubChem CID 123464172) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine
PubChem CID123464172
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine
SMILESCON/C(=C\CCCl)c1ccc(F)cc1
InChIInChI=1S/C11H13ClFNO/c1-15-14-11(3-2-8-12)9-4-6-10(13)7-5-9/h3-7,14H,2,8H2,1H3/b11-3-
InChIKeyJNHISYIRUPLPAC-JYOAFUTRSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

o-(2-Chloroethyl)-n-(4-fluorobenzyl)-hydroxylamine
CID 23499569
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57046147
1-(3-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57049882
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075

Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine?
The IUPAC name of (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine (CID 123464172) is (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine.
What is the SMILES notation for (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine?
The canonical SMILES for (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine is CON/C(=C\CCCl)c1ccc(F)cc1.
What is the InChIKey of (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine?
The InChIKey is JNHISYIRUPLPAC-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-14-11(3-2-8-12)9-4-6-10(13)7-5-9/h3-7,14H,2,8H2,1H3/b11-3-.
What are the key properties of (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine?
(Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine has a molecular weight of 229.68 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine is sourced from PubChem (CID 123464172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).