2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline

C13H16BrF2N — CID 43168287

IUPAC2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2c(F)cc(F)cc2Br)CC1
InChIInChI=1S/C13H16BrF2N/c1-8-2-4-10(5-3-8)17-13-11(14)6-9(15)7-12(13)16/h6-8,10,17H,2-5H2,1H3
InChIKeyFHPFFYNDIJWFTQ-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.72
Rot. Bonds2

About 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline

2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline (PubChem CID 43168287) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline
PubChem CID43168287
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2c(F)cc(F)cc2Br)CC1
InChIInChI=1S/C13H16BrF2N/c1-8-2-4-10(5-3-8)17-13-11(14)6-9(15)7-12(13)16/h6-8,10,17H,2-5H2,1H3
InChIKeyFHPFFYNDIJWFTQ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline (CID 43168287) is 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline is CC1CCC(Nc2c(F)cc(F)cc2Br)CC1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline?
The InChIKey is FHPFFYNDIJWFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c1-8-2-4-10(5-3-8)17-13-11(14)6-9(15)7-12(13)16/h6-8,10,17H,2-5H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline?
2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline has a molecular weight of 304.18 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 43168287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).