3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine

C10H9Cl3FNO — CID 123338382

IUPAC3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine
SMILESCONC(=Cc1c(Cl)cc(Cl)cc1Cl)CF
InChIInChI=1S/C10H9Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-4,15H,5H2,1H3
InChIKeyOCYPULIDQKJRGV-UHFFFAOYSA-N
MW284.55 g/mol
LogP4.11
Rot. Bonds4

About 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine

3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine (PubChem CID 123338382) has the molecular formula C10H9Cl3FNO and a molecular weight of 284.55 g/mol. Its IUPAC name is 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine
PubChem CID123338382
Molecular FormulaC10H9Cl3FNO
Molecular Weight284.55 g/mol
Exact Mass282.97
IUPAC Name3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine
SMILESCONC(=Cc1c(Cl)cc(Cl)cc1Cl)CF
InChIInChI=1S/C10H9Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-4,15H,5H2,1H3
InChIKeyOCYPULIDQKJRGV-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 54.11
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

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-fluoro-3-(2,4,6-trichloro-phenyl)-propan-2-one O-methyl-oxime
CID 86679077
4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine
CID 123330705
1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine
CID 123523452
1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine
CID 123716324
(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine
CID 144573997
(Z)-1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine
CID 145839209
N-methoxy-1-(2,4,6-trichloro-3-fluorophenyl)propan-2-amine
CID 176073983

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine?
The IUPAC name of 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine (CID 123338382) is 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine.
What is the SMILES notation for 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine?
The canonical SMILES for 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine is CONC(=Cc1c(Cl)cc(Cl)cc1Cl)CF.
What is the InChIKey of 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine?
The InChIKey is OCYPULIDQKJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-4,15H,5H2,1H3.
What are the key properties of 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine?
3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine has a molecular weight of 284.55 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine is sourced from PubChem (CID 123338382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).