5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline

C10H9ClF3N — CID 169477911

IUPAC5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline
SMILESNc1cc(C=CCCl)ccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3N/c11-5-1-2-7-3-4-8(9(15)6-7)10(12,13)14/h1-4,6H,5,15H2
InChIKeyXGKVYQDESAQYHS-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.54
Rot. Bonds2

About 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline

5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline (PubChem CID 169477911) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline
PubChem CID169477911
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline
SMILESNc1cc(C=CCCl)ccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3N/c11-5-1-2-7-3-4-8(9(15)6-7)10(12,13)14/h1-4,6H,5,15H2
InChIKeyXGKVYQDESAQYHS-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline (CID 169477911) is 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline is Nc1cc(C=CCCl)ccc1C(F)(F)F.
What is the InChIKey of 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline?
The InChIKey is XGKVYQDESAQYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-5-1-2-7-3-4-8(9(15)6-7)10(12,13)14/h1-4,6H,5,15H2.
What are the key properties of 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline?
5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline has a molecular weight of 235.64 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroprop-1-enyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 169477911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).