N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline

C12H6ClF4N — CID 82536183

IUPACN-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
SMILESFc1ccc(Nc2ccc(F)c(F)c2F)cc1Cl
InChIInChI=1S/C12H6ClF4N/c13-7-5-6(1-2-8(7)14)18-10-4-3-9(15)11(16)12(10)17/h1-5,18H
InChIKeyWJRJAVCASYNHLF-UHFFFAOYSA-N
MW275.63 g/mol
LogP4.64
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline

N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline (PubChem CID 82536183) has the molecular formula C12H6ClF4N and a molecular weight of 275.63 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
PubChem CID82536183
Molecular FormulaC12H6ClF4N
Molecular Weight275.63 g/mol
Exact Mass275.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
SMILESFc1ccc(Nc2ccc(F)c(F)c2F)cc1Cl
InChIInChI=1S/C12H6ClF4N/c13-7-5-6(1-2-8(7)14)18-10-4-3-9(15)11(16)12(10)17/h1-5,18H
InChIKeyWJRJAVCASYNHLF-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.63
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2,3,4-trifluoroaniline
CID 82536911
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904152
4-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 55108022
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
5-N-(3,4-dichlorophenyl)-3-N-(2,3,4-trifluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969528
1-N-(3-chloro-4-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 63750431
3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 43132793
2-amino-6-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 83215734
4-N-(3-chloro-4-methylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930108
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102226
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline (CID 82536183) is N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline is Fc1ccc(Nc2ccc(F)c(F)c2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline?
The InChIKey is WJRJAVCASYNHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N/c13-7-5-6(1-2-8(7)14)18-10-4-3-9(15)11(16)12(10)17/h1-5,18H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline?
N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline has a molecular weight of 275.63 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline is sourced from PubChem (CID 82536183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).