1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine

C8H11F2NS — CID 103516544

IUPAC1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)C(F)F
InChIInChI=1S/C8H11F2NS/c1-11-7(8(9)10)4-6-2-3-12-5-6/h2-3,5,7-8,11H,4H2,1H3
InChIKeyFBPDHVAWMAMQBQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.14
Rot. Bonds4

About 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine

1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 103516544) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
PubChem CID103516544
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)C(F)F
InChIInChI=1S/C8H11F2NS/c1-11-7(8(9)10)4-6-2-3-12-5-6/h2-3,5,7-8,11H,4H2,1H3
InChIKeyFBPDHVAWMAMQBQ-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223
3-(2-fluoropropyl)thiophene
CID 74766003
N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
CID 115845128
N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65132227
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-(2-ethylbutyl)thiophene
CID 89133993
4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine
CID 116716710
3-(2,2-dibromoethyl)thiophene
CID 174416053
(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105246462
2-(methylamino)-3-thiophen-3-ylpropane-1-sulfonic acid
CID 87095543
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
CID 65423218

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine (CID 103516544) is 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine is CNC(Cc1ccsc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is FBPDHVAWMAMQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c1-11-7(8(9)10)4-6-2-3-12-5-6/h2-3,5,7-8,11H,4H2,1H3.
What are the key properties of 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine?
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 191.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 103516544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).