2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline

C14H11F4N — CID 43192515

IUPAC2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(F)c(F)c1F)c1ccccc1F
InChIInChI=1S/C14H11F4N/c1-8(9-4-2-3-5-10(9)15)19-12-7-6-11(16)13(17)14(12)18/h2-8,19H,1H3
InChIKeyBTKGFTSIJXOQRZ-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.42
Rot. Bonds3

About 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline

2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline (PubChem CID 43192515) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
PubChem CID43192515
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(F)c(F)c1F)c1ccccc1F
InChIInChI=1S/C14H11F4N/c1-8(9-4-2-3-5-10(9)15)19-12-7-6-11(16)13(17)14(12)18/h2-8,19H,1H3
InChIKeyBTKGFTSIJXOQRZ-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.42
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

2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 79834697
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161
3-fluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 62710157
N-[1-(2-fluorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721902
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline
CID 43232220
methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate
CID 43680646
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline (CID 43192515) is 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline is CC(Nc1ccc(F)c(F)c1F)c1ccccc1F.
What is the InChIKey of 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline?
The InChIKey is BTKGFTSIJXOQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-8(9-4-2-3-5-10(9)15)19-12-7-6-11(16)13(17)14(12)18/h2-8,19H,1H3.
What are the key properties of 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline?
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline has a molecular weight of 269.24 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43192515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).