4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline

C10H10BrF4N — CID 81106703

IUPAC4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline
SMILESFCCCNc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF4N/c11-9-3-2-7(16-5-1-4-12)6-8(9)10(13,14)15/h2-3,6,16H,1,4-5H2
InChIKeyVBHSDJGIBDBUEO-UHFFFAOYSA-N
MW300.09 g/mol
LogP4.24
Rot. Bonds4

About 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline

4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline (PubChem CID 81106703) has the molecular formula C10H10BrF4N and a molecular weight of 300.09 g/mol. Its IUPAC name is 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline
PubChem CID81106703
Molecular FormulaC10H10BrF4N
Molecular Weight300.09 g/mol
Exact Mass298.99
IUPAC Name4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline
SMILESFCCCNc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF4N/c11-9-3-2-7(16-5-1-4-12)6-8(9)10(13,14)15/h2-3,6,16H,1,4-5H2
InChIKeyVBHSDJGIBDBUEO-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.09
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-butyl-3-(trifluoromethyl)aniline
CID 43228567
4-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)aniline
CID 112589166
tert-butyl N-[3-[4-bromo-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103821698
N-[2-[4-bromo-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 103604165
4-bromo-N-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 105403156
3-bromo-4-chloro-N-(3-fluoropropyl)aniline
CID 81107325
4-bromo-N-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 60789653
4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline
CID 43680414
4-bromo-N-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43230401
4-[[4-bromo-3-(trifluoromethyl)anilino]methyl]benzene-1,2-diol
CID 43680396
4-bromo-N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43680371
4-bromo-N-(3-phenylprop-2-ynyl)-3-(trifluoromethyl)aniline
CID 64854742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline (CID 81106703) is 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline is FCCCNc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline?
The InChIKey is VBHSDJGIBDBUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF4N/c11-9-3-2-7(16-5-1-4-12)6-8(9)10(13,14)15/h2-3,6,16H,1,4-5H2.
What are the key properties of 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline?
4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline has a molecular weight of 300.09 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81106703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).