1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine

C15H10ClF3N2 — CID 176884698

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine
SMILESNc1cccc2c1ccn2-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2/c16-11-8-9(15(17,18)19)4-5-14(11)21-7-6-10-12(20)2-1-3-13(10)21/h1-8H,20H2
InChIKeyGGLGGYOSHAACIQ-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.88
Rot. Bonds1

About 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine

1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine (PubChem CID 176884698) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine
PubChem CID176884698
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine
SMILESNc1cccc2c1ccn2-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2/c16-11-8-9(15(17,18)19)4-5-14(11)21-7-6-10-12(20)2-1-3-13(10)21/h1-8H,20H2
InChIKeyGGLGGYOSHAACIQ-UHFFFAOYSA-N
XLogP4.88
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxylic acid
CID 82362513
2-pyrrol-1-yl-4-(trifluoromethyl)aniline
CID 131515735
3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole
CID 175965802
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956068
3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 63667119
2-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]aniline;ethane
CID 144833057
1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole
CID 159868733
2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
1-(2-aminophenyl)quinolin-4-one
CID 15712134
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine (CID 176884698) is 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine is Nc1cccc2c1ccn2-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine?
The InChIKey is GGLGGYOSHAACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c16-11-8-9(15(17,18)19)4-5-14(11)21-7-6-10-12(20)2-1-3-13(10)21/h1-8H,20H2.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine?
1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine has a molecular weight of 310.71 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine is sourced from PubChem (CID 176884698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).