N,2,3,4-tetrafluoroaniline

C6H3F4N — CID 54516145

IUPACN,2,3,4-tetrafluoroaniline
SMILESFNc1ccc(F)c(F)c1F
InChIInChI=1S/C6H3F4N/c7-3-1-2-4(11-10)6(9)5(3)8/h1-2,11H
InChIKeyZMOLZYIGTOMBLR-UHFFFAOYSA-N
MW165.09 g/mol
LogP2.40
Rot. Bonds1

About N,2,3,4-tetrafluoroaniline

N,2,3,4-tetrafluoroaniline (PubChem CID 54516145) has the molecular formula C6H3F4N and a molecular weight of 165.09 g/mol. Its IUPAC name is N,2,3,4-tetrafluoroaniline.

Molecular Properties

Compound NameN,2,3,4-tetrafluoroaniline
PubChem CID54516145
Molecular FormulaC6H3F4N
Molecular Weight165.09 g/mol
Exact Mass165.02
IUPAC NameN,2,3,4-tetrafluoroaniline
SMILESFNc1ccc(F)c(F)c1F
InChIInChI=1S/C6H3F4N/c7-3-1-2-4(11-10)6(9)5(3)8/h1-2,11H
InChIKeyZMOLZYIGTOMBLR-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663
N-(4-chlorophenyl)-2,3,4-trifluoroaniline
CID 82536911
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline
CID 43560276
3-(2,3,4-trifluoroanilino)propan-1-ol
CID 19609283
N-(2,3,4-trifluorophenyl)cycloheptanamine
CID 29277673
N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
CID 82536183
1-(2,3,4-trifluoroanilino)propan-1-ol
CID 151840381
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
CID 66045918
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline
CID 43759530

Frequently Asked Questions

What is the IUPAC name of N,2,3,4-tetrafluoroaniline?
The IUPAC name of N,2,3,4-tetrafluoroaniline (CID 54516145) is N,2,3,4-tetrafluoroaniline.
What is the SMILES notation for N,2,3,4-tetrafluoroaniline?
The canonical SMILES for N,2,3,4-tetrafluoroaniline is FNc1ccc(F)c(F)c1F.
What is the InChIKey of N,2,3,4-tetrafluoroaniline?
The InChIKey is ZMOLZYIGTOMBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4N/c7-3-1-2-4(11-10)6(9)5(3)8/h1-2,11H.
What are the key properties of N,2,3,4-tetrafluoroaniline?
N,2,3,4-tetrafluoroaniline has a molecular weight of 165.09 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4-tetrafluoroaniline is sourced from PubChem (CID 54516145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).