N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine

C8H10BrF2NS — CID 115407076

IUPACN-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
SMILESCc1cc(CNCC(F)F)sc1Br
InChIInChI=1S/C8H10BrF2NS/c1-5-2-6(13-8(5)9)3-12-4-7(10)11/h2,7,12H,3-4H2,1H3
InChIKeyVOFCLSDAXKURTF-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.17
Rot. Bonds4

About N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115407076) has the molecular formula C8H10BrF2NS and a molecular weight of 270.14 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID115407076
Molecular FormulaC8H10BrF2NS
Molecular Weight270.14 g/mol
Exact Mass268.97
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
SMILESCc1cc(CNCC(F)F)sc1Br
InChIInChI=1S/C8H10BrF2NS/c1-5-2-6(13-8(5)9)3-12-4-7(10)11/h2,7,12H,3-4H2,1H3
InChIKeyVOFCLSDAXKURTF-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
CID 115710741
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 115710435
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115710447
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(thian-4-yl)methanamine
CID 115710864
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
CID 115710605
N-[(5-bromo-4-methylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115711129
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 115710507

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine (CID 115407076) is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine is Cc1cc(CNCC(F)F)sc1Br.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is VOFCLSDAXKURTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NS/c1-5-2-6(13-8(5)9)3-12-4-7(10)11/h2,7,12H,3-4H2,1H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 270.14 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115407076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).