5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline

C11H8BrF2NS — CID 102852659

IUPAC5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2cccs2)cc1Br
InChIInChI=1S/C11H8BrF2NS/c12-8-4-11(10(14)5-9(8)13)15-6-7-2-1-3-16-7/h1-5,15H,6H2
InChIKeyNMMZUMSYBYTUCJ-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.40
Rot. Bonds3

About 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline

5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 102852659) has the molecular formula C11H8BrF2NS and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID102852659
Molecular FormulaC11H8BrF2NS
Molecular Weight304.16 g/mol
Exact Mass302.95
IUPAC Name5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2cccs2)cc1Br
InChIInChI=1S/C11H8BrF2NS/c12-8-4-11(10(14)5-9(8)13)15-6-7-2-1-3-16-7/h1-5,15H,6H2
InChIKeyNMMZUMSYBYTUCJ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 65435486
2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107633039
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2,4-difluoroaniline
CID 102852725
5-[(5-bromo-2,4-difluoroanilino)methyl]thiophene-2-carbonitrile
CID 102853084
3-fluoro-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 60788587
5-[(5-bromo-2,4-difluoroanilino)methyl]thiophene-2-carboxylic acid
CID 103268902
2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 39246443
5-bromo-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102852740
5-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263798
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102853232
tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate
CID 107241001
2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33216280

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline (CID 102852659) is 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline is Fc1cc(F)c(NCc2cccs2)cc1Br.
What is the InChIKey of 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is NMMZUMSYBYTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NS/c12-8-4-11(10(14)5-9(8)13)15-6-7-2-1-3-16-7/h1-5,15H,6H2.
What are the key properties of 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline?
5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 304.16 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 102852659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).