N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline

C14H10BrF4N — CID 63477170

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF4N/c1-7(8-2-3-11(17)10(15)4-8)20-13-6-9(16)5-12(18)14(13)19/h2-7,20H,1H3
InChIKeyFHFTZMNBZRTNJH-UHFFFAOYSA-N
MW348.14 g/mol
LogP5.18
Rot. Bonds3

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline (PubChem CID 63477170) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline
PubChem CID63477170
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF4N/c1-7(8-2-3-11(17)10(15)4-8)20-13-6-9(16)5-12(18)14(13)19/h2-7,20H,1H3
InChIKeyFHFTZMNBZRTNJH-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.14
LogP ≤ 55.18
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-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylaniline
CID 107630093
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807
N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
CID 43756125
N-[1-(3-bromo-4-fluorophenyl)ethyl]-3,5-dichloro-4-fluoroaniline
CID 107572700
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline (CID 63477170) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline is CC(Nc1cc(F)cc(F)c1F)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline?
The InChIKey is FHFTZMNBZRTNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c1-7(8-2-3-11(17)10(15)4-8)20-13-6-9(16)5-12(18)14(13)19/h2-7,20H,1H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline has a molecular weight of 348.14 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline is sourced from PubChem (CID 63477170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).