4-bromo-2-(difluoromethyl)-3-fluoroaniline

C7H5BrF3N — CID 175669840

IUPAC4-bromo-2-(difluoromethyl)-3-fluoroaniline
SMILESNc1ccc(Br)c(F)c1C(F)F
InChIInChI=1S/C7H5BrF3N/c8-3-1-2-4(12)5(6(3)9)7(10)11/h1-2,7H,12H2
InChIKeyRRHSYUQMPDEKKM-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.11
Rot. Bonds1

About 4-bromo-2-(difluoromethyl)-3-fluoroaniline

4-bromo-2-(difluoromethyl)-3-fluoroaniline (PubChem CID 175669840) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-3-fluoroaniline
PubChem CID175669840
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name4-bromo-2-(difluoromethyl)-3-fluoroaniline
SMILESNc1ccc(Br)c(F)c1C(F)F
InChIInChI=1S/C7H5BrF3N/c8-3-1-2-4(12)5(6(3)9)7(10)11/h1-2,7H,12H2
InChIKeyRRHSYUQMPDEKKM-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-amino-6-bromo-2-(difluoromethyl)phenyl]ethanone
CID 171026881
(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171248107
5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119016781
(6-amino-3-bromo-2-fluorophenyl)methanol
CID 67080757
[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 106945433
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
1-(3-bromo-2,6-difluorophenyl)-2,2-diethoxyethanamine
CID 106942803
(1S)-1-(3-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313035
(1R)-1-(3-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313666
4-bromo-3-fluoro-2-(methyliminomethyl)aniline
CID 146323863
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
3-bromo-2-(difluoromethyl)-6-fluorophenol
CID 130987254

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-3-fluoroaniline?
The IUPAC name of 4-bromo-2-(difluoromethyl)-3-fluoroaniline (CID 175669840) is 4-bromo-2-(difluoromethyl)-3-fluoroaniline.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-3-fluoroaniline?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-3-fluoroaniline is Nc1ccc(Br)c(F)c1C(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-3-fluoroaniline?
The InChIKey is RRHSYUQMPDEKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c8-3-1-2-4(12)5(6(3)9)7(10)11/h1-2,7H,12H2.
What are the key properties of 4-bromo-2-(difluoromethyl)-3-fluoroaniline?
4-bromo-2-(difluoromethyl)-3-fluoroaniline has a molecular weight of 240.02 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-3-fluoroaniline is sourced from PubChem (CID 175669840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).