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

C13H16BrF2NO — CID 65468907

IUPAC4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H16BrF2NO/c1-18-12-5-3-2-4-11(12)17-13-9(15)6-8(14)7-10(13)16/h6-7,11-12,17H,2-5H2,1H3
InChIKeyIUEFFELCKUYZAO-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.10
Rot. Bonds3

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

4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline (PubChem CID 65468907) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline
PubChem CID65468907
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H16BrF2NO/c1-18-12-5-3-2-4-11(12)17-13-9(15)6-8(14)7-10(13)16/h6-7,11-12,17H,2-5H2,1H3
InChIKeyIUEFFELCKUYZAO-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline (CID 65468907) is 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline?
The InChIKey is IUEFFELCKUYZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c1-18-12-5-3-2-4-11(12)17-13-9(15)6-8(14)7-10(13)16/h6-7,11-12,17H,2-5H2,1H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline?
4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline has a molecular weight of 320.18 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 65468907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).