N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline

C14H9ClF5N — CID 107643726

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
SMILESCC(Nc1c(F)c(F)cc(F)c1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClF5N/c1-6(7-2-3-9(16)8(15)4-7)21-14-12(19)10(17)5-11(18)13(14)20/h2-6,21H,1H3
InChIKeyURQYBNGBGRQZAM-UHFFFAOYSA-N
MW321.68 g/mol
LogP5.21
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline

N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline (PubChem CID 107643726) has the molecular formula C14H9ClF5N and a molecular weight of 321.68 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
PubChem CID107643726
Molecular FormulaC14H9ClF5N
Molecular Weight321.68 g/mol
Exact Mass321.03
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
SMILESCC(Nc1c(F)c(F)cc(F)c1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClF5N/c1-6(7-2-3-9(16)8(15)4-7)21-14-12(19)10(17)5-11(18)13(14)20/h2-6,21H,1H3
InChIKeyURQYBNGBGRQZAM-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.68
LogP ≤ 55.21
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-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 65469865
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
CID 43122894
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204543
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline (CID 107643726) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline is CC(Nc1c(F)c(F)cc(F)c1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline?
The InChIKey is URQYBNGBGRQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF5N/c1-6(7-2-3-9(16)8(15)4-7)21-14-12(19)10(17)5-11(18)13(14)20/h2-6,21H,1H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline has a molecular weight of 321.68 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107643726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).