N-(4-chlorophenyl)-2,3,4-trifluoroaniline

C12H7ClF3N — CID 82536911

IUPACN-(4-chlorophenyl)-2,3,4-trifluoroaniline
SMILESFc1ccc(Nc2ccc(Cl)cc2)c(F)c1F
InChIInChI=1S/C12H7ClF3N/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6,17H
InChIKeyWVYGDVXCBZJYJP-UHFFFAOYSA-N
MW257.64 g/mol
LogP4.50
Rot. Bonds2

About N-(4-chlorophenyl)-2,3,4-trifluoroaniline

N-(4-chlorophenyl)-2,3,4-trifluoroaniline (PubChem CID 82536911) has the molecular formula C12H7ClF3N and a molecular weight of 257.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3,4-trifluoroaniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3,4-trifluoroaniline
PubChem CID82536911
Molecular FormulaC12H7ClF3N
Molecular Weight257.64 g/mol
Exact Mass257.02
IUPAC NameN-(4-chlorophenyl)-2,3,4-trifluoroaniline
SMILESFc1ccc(Nc2ccc(Cl)cc2)c(F)c1F
InChIInChI=1S/C12H7ClF3N/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6,17H
InChIKeyWVYGDVXCBZJYJP-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 54.50
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-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
CID 82536183
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
methyl N-[4-(2,3,4-trifluoroanilino)phenyl]carbamate
CID 112990169
2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide
CID 112990145
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
4-fluoro-N-[4-(2,3,4-trifluoroanilino)phenyl]benzenesulfonamide
CID 112990183
N-(2,3,4-trifluorophenyl)pyridin-3-amine
CID 82537499
3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 43132793
N,2,3,4-tetrafluoroaniline
CID 54516145

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3,4-trifluoroaniline?
The IUPAC name of N-(4-chlorophenyl)-2,3,4-trifluoroaniline (CID 82536911) is N-(4-chlorophenyl)-2,3,4-trifluoroaniline.
What is the SMILES notation for N-(4-chlorophenyl)-2,3,4-trifluoroaniline?
The canonical SMILES for N-(4-chlorophenyl)-2,3,4-trifluoroaniline is Fc1ccc(Nc2ccc(Cl)cc2)c(F)c1F.
What is the InChIKey of N-(4-chlorophenyl)-2,3,4-trifluoroaniline?
The InChIKey is WVYGDVXCBZJYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6,17H.
What are the key properties of N-(4-chlorophenyl)-2,3,4-trifluoroaniline?
N-(4-chlorophenyl)-2,3,4-trifluoroaniline has a molecular weight of 257.64 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3,4-trifluoroaniline is sourced from PubChem (CID 82536911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).