1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine

C10H10Cl2FNO — CID 123523452

IUPAC1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine
SMILESCONC(=Cc1ccc(Cl)cc1Cl)CF
InChIInChI=1S/C10H10Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-5,14H,6H2,1H3
InChIKeyKNCOMHNFGONZCD-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.45
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine

1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine (PubChem CID 123523452) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine
PubChem CID123523452
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine
SMILESCONC(=Cc1ccc(Cl)cc1Cl)CF
InChIInChI=1S/C10H10Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-5,14H,6H2,1H3
InChIKeyKNCOMHNFGONZCD-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.45
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

2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene
CID 2063266
N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine
CID 58443683
N-[1-fluoromethyl-2-(2,4,6-trichloro-phenyl)-ethyl]-O-methylhydroxylamine
CID 54673468
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(2-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57087609
N-[2-(2,4-dichlorophenyl)-1-fluoromethyl-ethyl]-O-methyl-hydroxylamine
CID 86679075
1-(2,4-dichloro-phenyl)-3-fluoro-propan-2-one O-methyl-oxime
CID 86679080
(Z)-1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine
CID 121215981
4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine
CID 123330705
3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine
CID 123338382
1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine
CID 123716324
(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine
CID 144573997

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine (CID 123523452) is 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine is CONC(=Cc1ccc(Cl)cc1Cl)CF.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine?
The InChIKey is KNCOMHNFGONZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-5,14H,6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine?
1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine has a molecular weight of 250.10 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine is sourced from PubChem (CID 123523452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).