4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline

C10H8Cl2F3N — CID 107899669

IUPAC4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NC/C=C/Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2F3N/c11-4-1-5-16-7-2-3-9(12)8(6-7)10(13,14)15/h1-4,6,16H,5H2/b4-1+
InChIKeyXLBIESPXOAMZHK-DAFODLJHSA-N
MW270.08 g/mol
LogP4.52
Rot. Bonds3

About 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline

4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline (PubChem CID 107899669) has the molecular formula C10H8Cl2F3N and a molecular weight of 270.08 g/mol. Its IUPAC name is 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline
PubChem CID107899669
Molecular FormulaC10H8Cl2F3N
Molecular Weight270.08 g/mol
Exact Mass269.00
IUPAC Name4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NC/C=C/Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2F3N/c11-4-1-5-16-7-2-3-9(12)8(6-7)10(13,14)15/h1-4,6,16H,5H2/b4-1+
InChIKeyXLBIESPXOAMZHK-DAFODLJHSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392
4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
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4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
CID 43082566
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
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4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
4-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 114841520
4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43245776
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 78832352
4-chloro-N-[(2-ethylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63423431
4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 66409588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline (CID 107899669) is 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NC/C=C/Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline?
The InChIKey is XLBIESPXOAMZHK-DAFODLJHSA-N. The full InChI is InChI=1S/C10H8Cl2F3N/c11-4-1-5-16-7-2-3-9(12)8(6-7)10(13,14)15/h1-4,6,16H,5H2/b4-1+.
What are the key properties of 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline?
4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline has a molecular weight of 270.08 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 107899669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).