3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine

C10H10Cl2FN — CID 169473411

IUPAC3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C10H10Cl2FN/c1-14-4-2-3-7-5-8(11)10(13)9(12)6-7/h2-3,5-6,14H,4H2,1H3
InChIKeyWZFHMVVKQOJQJT-UHFFFAOYSA-N
MW234.10 g/mol
LogP3.37
Rot. Bonds3

About 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine

3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 169473411) has the molecular formula C10H10Cl2FN and a molecular weight of 234.10 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
PubChem CID169473411
Molecular FormulaC10H10Cl2FN
Molecular Weight234.10 g/mol
Exact Mass233.02
IUPAC Name3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C10H10Cl2FN/c1-14-4-2-3-7-5-8(11)10(13)9(12)6-7/h2-3,5-6,14H,4H2,1H3
InChIKeyWZFHMVVKQOJQJT-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine (CID 169473411) is 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine is CNCC=Cc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is WZFHMVVKQOJQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FN/c1-14-4-2-3-7-5-8(11)10(13)9(12)6-7/h2-3,5-6,14H,4H2,1H3.
What are the key properties of 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine?
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 234.10 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).