5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline

C13H13BrF5N — CID 102853225

IUPAC5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESFc1cc(F)c(NC2CCCCC2C(F)(F)F)cc1Br
InChIInChI=1S/C13H13BrF5N/c14-8-5-12(10(16)6-9(8)15)20-11-4-2-1-3-7(11)13(17,18)19/h5-7,11,20H,1-4H2
InChIKeyLOGGPXJUJGYWGU-UHFFFAOYSA-N
MW358.15 g/mol
LogP5.26
Rot. Bonds2

About 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline

5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 102853225) has the molecular formula C13H13BrF5N and a molecular weight of 358.15 g/mol. Its IUPAC name is 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID102853225
Molecular FormulaC13H13BrF5N
Molecular Weight358.15 g/mol
Exact Mass357.02
IUPAC Name5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESFc1cc(F)c(NC2CCCCC2C(F)(F)F)cc1Br
InChIInChI=1S/C13H13BrF5N/c14-8-5-12(10(16)6-9(8)15)20-11-4-2-1-3-7(11)13(17,18)19/h5-7,11,20H,1-4H2
InChIKeyLOGGPXJUJGYWGU-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.15
LogP ≤ 55.26
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

3-bromo-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 104775706
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 103412212
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758489
4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572276
N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 102852658
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758056
5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 82015367
1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine
CID 102853239
5-bromo-N-(2,2-dimethylcyclohexyl)-2,4-difluoroaniline
CID 102853156
3,5-dichloro-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572992

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 102853225) is 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline is Fc1cc(F)c(NC2CCCCC2C(F)(F)F)cc1Br.
What is the InChIKey of 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is LOGGPXJUJGYWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF5N/c14-8-5-12(10(16)6-9(8)15)20-11-4-2-1-3-7(11)13(17,18)19/h5-7,11,20H,1-4H2.
What are the key properties of 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline?
5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 358.15 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 102853225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).