N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline

C14H10F5N — CID 62810510

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C14H10F5N/c1-7(10-3-2-8(15)4-11(10)17)20-13-6-9(16)5-12(18)14(13)19/h2-7,20H,1H3
InChIKeyIGQBAAKSCVKGBN-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.56
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline

N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline (PubChem CID 62810510) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
PubChem CID62810510
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C14H10F5N/c1-7(10-3-2-8(15)4-11(10)17)20-13-6-9(16)5-12(18)14(13)19/h2-7,20H,1H3
InChIKeyIGQBAAKSCVKGBN-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
4-[1-(2,3,5-trifluoroanilino)ethyl]benzene-1,3-diol
CID 62811107
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
4-methyl-2-[1-(2,3,5-trifluoroanilino)ethyl]phenol
CID 62809968
2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
CID 107631161
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 63477170
2,3,5-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 55119065
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,4-difluorophenyl)ethyl]quinolin-8-amine
CID 43191671

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline (CID 62810510) is N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline is CC(Nc1cc(F)cc(F)c1F)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline?
The InChIKey is IGQBAAKSCVKGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c1-7(10-3-2-8(15)4-11(10)17)20-13-6-9(16)5-12(18)14(13)19/h2-7,20H,1H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline?
N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline has a molecular weight of 287.23 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline is sourced from PubChem (CID 62810510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).