4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine

C13H10ClF3N2 — CID 115468541

IUPAC4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10ClF3N2/c14-9-3-6-11(18)12(7-9)19-10-4-1-8(2-5-10)13(15,16)17/h1-7,19H,18H2
InChIKeyCRILJLBRTWFFHA-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.68
Rot. Bonds2

About 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine

4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine (PubChem CID 115468541) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
PubChem CID115468541
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10ClF3N2/c14-9-3-6-11(18)12(7-9)19-10-4-1-8(2-5-10)13(15,16)17/h1-7,19H,18H2
InChIKeyCRILJLBRTWFFHA-UHFFFAOYSA-N
XLogP4.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106
4-chloro-2-[4-(trifluoromethyl)anilino]benzenecarbothioamide
CID 63519560
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 63667774
4-N-(5-chloro-2-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22547329
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81263721
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
4-bromo-1-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29066934
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067186
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine (CID 115468541) is 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine is Nc1ccc(Cl)cc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The InChIKey is CRILJLBRTWFFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-9-3-6-11(18)12(7-9)19-10-4-1-8(2-5-10)13(15,16)17/h1-7,19H,18H2.
What are the key properties of 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine?
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine has a molecular weight of 286.68 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 115468541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).