6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline

C8H6BrF4N — CID 131115755

IUPAC6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline
SMILESNc1c(CBr)ccc(F)c1C(F)(F)F
InChIInChI=1S/C8H6BrF4N/c9-3-4-1-2-5(10)6(7(4)14)8(11,12)13/h1-2H,3,14H2
InChIKeyPOEUZAFNOMLIJS-UHFFFAOYSA-N
MW272.04 g/mol
LogP3.32
Rot. Bonds1

About 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline

6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline (PubChem CID 131115755) has the molecular formula C8H6BrF4N and a molecular weight of 272.04 g/mol. Its IUPAC name is 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline
PubChem CID131115755
Molecular FormulaC8H6BrF4N
Molecular Weight272.04 g/mol
Exact Mass270.96
IUPAC Name6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline
SMILESNc1c(CBr)ccc(F)c1C(F)(F)F
InChIInChI=1S/C8H6BrF4N/c9-3-4-1-2-5(10)6(7(4)14)8(11,12)13/h1-2H,3,14H2
InChIKeyPOEUZAFNOMLIJS-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-(bromomethyl)-2-(trifluoromethyl)aniline
CID 119024913
6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline
CID 119012273
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
CID 19702594
3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline
CID 165144308
[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol
CID 119023402
3-(aminomethyl)-6-bromo-2-(trifluoromethyl)aniline
CID 130775202
2-bromo-1-(bromomethyl)-4-iodo-3-(trifluoromethyl)benzene
CID 171002696
3-bromo-6-(bromomethyl)benzene-1,2-diamine
CID 163970562
3-bromo-1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 171007707
1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
CID 91117287
1-(bromomethyl)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742793

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline?
The IUPAC name of 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline (CID 131115755) is 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline.
What is the SMILES notation for 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline?
The canonical SMILES for 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline is Nc1c(CBr)ccc(F)c1C(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline?
The InChIKey is POEUZAFNOMLIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF4N/c9-3-4-1-2-5(10)6(7(4)14)8(11,12)13/h1-2H,3,14H2.
What are the key properties of 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline?
6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline has a molecular weight of 272.04 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline is sourced from PubChem (CID 131115755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).