3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine

C12H15F2NS — CID 168764150

IUPAC3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc2c(c1)SCC2)C(F)F
InChIInChI=1S/C12H15F2NS/c1-15-10(12(13)14)6-8-2-3-9-4-5-16-11(9)7-8/h2-3,7,10,12,15H,4-6H2,1H3
InChIKeyARVPMXCDECLWHL-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.73
Rot. Bonds4

About 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine

3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 168764150) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID168764150
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc2c(c1)SCC2)C(F)F
InChIInChI=1S/C12H15F2NS/c1-15-10(12(13)14)6-8-2-3-9-4-5-16-11(9)7-8/h2-3,7,10,12,15H,4-6H2,1H3
InChIKeyARVPMXCDECLWHL-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-6-yl)propan-2-amine
CID 117284206
1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 103759785
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759748
3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine
CID 82401609
1-chloro-1-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylpropan-2-amine
CID 168764178
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 103516544
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine
CID 168764205
4,4-dichloro-3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylbutan-2-amine
CID 168763926
1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)-3-fluoropropan-1-one
CID 168764045
1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 103759818

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine (CID 168764150) is 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine is CNC(Cc1ccc2c(c1)SCC2)C(F)F.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is ARVPMXCDECLWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-15-10(12(13)14)6-8-2-3-9-4-5-16-11(9)7-8/h2-3,7,10,12,15H,4-6H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine?
3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 243.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 168764150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).