4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline

C14H12F4N2 — CID 61227454

IUPAC4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H12F4N2/c1-9(10-4-6-19-7-5-10)20-11-2-3-13(15)12(8-11)14(16,17)18/h2-9,20H,1H3
InChIKeyQWLPMBWCGURAPV-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.41
Rot. Bonds3

About 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline

4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline (PubChem CID 61227454) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
PubChem CID61227454
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H12F4N2/c1-9(10-4-6-19-7-5-10)20-11-2-3-13(15)12(8-11)14(16,17)18/h2-9,20H,1H3
InChIKeyQWLPMBWCGURAPV-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
N-(1-pyridin-4-ylethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812363
N-[1-(2-bromophenyl)ethyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63455430
3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401
3-[4-fluoro-3-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 79390899
4-(1-pyridin-4-ylethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687076
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline (CID 61227454) is 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline is CC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccncc1.
What is the InChIKey of 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline?
The InChIKey is QWLPMBWCGURAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-9(10-4-6-19-7-5-10)20-11-2-3-13(15)12(8-11)14(16,17)18/h2-9,20H,1H3.
What are the key properties of 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline?
4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline has a molecular weight of 284.26 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 61227454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).