4-bromo-2,6-difluoro-N-pentan-3-ylaniline

C11H14BrF2N — CID 65469105

IUPAC4-bromo-2,6-difluoro-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2N/c1-3-8(4-2)15-11-9(13)5-7(12)6-10(11)14/h5-6,8,15H,3-4H2,1-2H3
InChIKeyPAPYCGRDDOENGB-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.33
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-pentan-3-ylaniline

4-bromo-2,6-difluoro-N-pentan-3-ylaniline (PubChem CID 65469105) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-pentan-3-ylaniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-pentan-3-ylaniline
PubChem CID65469105
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name4-bromo-2,6-difluoro-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2N/c1-3-8(4-2)15-11-9(13)5-7(12)6-10(11)14/h5-6,8,15H,3-4H2,1-2H3
InChIKeyPAPYCGRDDOENGB-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
CID 65467183
3,5-difluoro-4-(pentan-3-ylamino)benzenecarbothioamide
CID 81285853
ethyl 2-(4-bromo-2,6-difluoroanilino)butanoate
CID 65469572
4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline
CID 65467956
4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
CID 65468335
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
CID 103390195
1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
CID 138669092
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
3-bromo-4-fluoro-N-pentan-3-ylaniline
CID 104776153
2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
CID 43347573
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
CID 55197881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-pentan-3-ylaniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-pentan-3-ylaniline (CID 65469105) is 4-bromo-2,6-difluoro-N-pentan-3-ylaniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-pentan-3-ylaniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-pentan-3-ylaniline is CCC(CC)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-pentan-3-ylaniline?
The InChIKey is PAPYCGRDDOENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-3-8(4-2)15-11-9(13)5-7(12)6-10(11)14/h5-6,8,15H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2,6-difluoro-N-pentan-3-ylaniline?
4-bromo-2,6-difluoro-N-pentan-3-ylaniline has a molecular weight of 278.14 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-pentan-3-ylaniline is sourced from PubChem (CID 65469105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).