(Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine

C9H9ClF3N3 — CID 146437813

IUPAC(Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine
SMILESN/C=C\N(N)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3N3/c10-8-2-1-6(16(15)4-3-14)5-7(8)9(11,12)13/h1-5H,14-15H2/b4-3-
InChIKeyYNIKCLMURNLNCL-ARJAWSKDSA-N
MW251.64 g/mol
LogP2.47
Rot. Bonds2

About (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine

(Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine (PubChem CID 146437813) has the molecular formula C9H9ClF3N3 and a molecular weight of 251.64 g/mol. Its IUPAC name is (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine.

Molecular Properties

Compound Name(Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine
PubChem CID146437813
Molecular FormulaC9H9ClF3N3
Molecular Weight251.64 g/mol
Exact Mass251.04
IUPAC Name(Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine
SMILESN/C=C\N(N)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3N3/c10-8-2-1-6(16(15)4-3-14)5-7(8)9(11,12)13/h1-5H,14-15H2/b4-3-
InChIKeyYNIKCLMURNLNCL-ARJAWSKDSA-N
XLogP2.47
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol
CID 146437910
CID 162603813
CID 162603813
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 131272107
1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea
CID 90751133
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 170897906
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126270431
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
CID 100550027
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
CID 89363824
[amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
CID 59135399

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine?
The IUPAC name of (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine (CID 146437813) is (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine.
What is the SMILES notation for (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine?
The canonical SMILES for (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine is N/C=C\N(N)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine?
The InChIKey is YNIKCLMURNLNCL-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H9ClF3N3/c10-8-2-1-6(16(15)4-3-14)5-7(8)9(11,12)13/h1-5H,14-15H2/b4-3-.
What are the key properties of (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine?
(Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine has a molecular weight of 251.64 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine is sourced from PubChem (CID 146437813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).