2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline

C13H11F3N2 — CID 43192512

IUPAC2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1ccc(F)c(F)c1F)c1ccncc1
InChIInChI=1S/C13H11F3N2/c1-8(9-4-6-17-7-5-9)18-11-3-2-10(14)12(15)13(11)16/h2-8,18H,1H3
InChIKeyKMVRBIDZDBXBTQ-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.67
Rot. Bonds3

About 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline

2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43192512) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43192512
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1ccc(F)c(F)c1F)c1ccncc1
InChIInChI=1S/C13H11F3N2/c1-8(9-4-6-17-7-5-9)18-11-3-2-10(14)12(15)13(11)16/h2-8,18H,1H3
InChIKeyKMVRBIDZDBXBTQ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43122983
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
2,4-difluoro-5-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43725169
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,3,4-trifluoroaniline
CID 43759521
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
5-chloro-2-(1-pyridin-4-ylethylamino)benzenecarbothioamide
CID 62494698
4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 61227454
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline (CID 43192512) is 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline is CC(Nc1ccc(F)c(F)c1F)c1ccncc1.
What is the InChIKey of 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is KMVRBIDZDBXBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8(9-4-6-17-7-5-9)18-11-3-2-10(14)12(15)13(11)16/h2-8,18H,1H3.
What are the key properties of 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline?
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 252.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43192512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).