3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine

C10H15F2NOS — CID 103149216

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1cccs1
InChIInChI=1S/C10H15F2NOS/c1-13-8(9-3-2-6-15-9)4-5-14-7-10(11)12/h2-3,6,8,10,13H,4-5,7H2,1H3
InChIKeyZCVKXLURQUZLST-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.68
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine

3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 103149216) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID103149216
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1cccs1
InChIInChI=1S/C10H15F2NOS/c1-13-8(9-3-2-6-15-9)4-5-14-7-10(11)12/h2-3,6,8,10,13H,4-5,7H2,1H3
InChIKeyZCVKXLURQUZLST-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
CID 103149434
3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 103149318
3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783796
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
N-methyl-2-phenoxy-1-thiophen-2-ylethanamine
CID 62715336
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 103149230
1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103149403
N-methyl-2-propan-2-ylsulfanyl-1-thiophen-2-ylethanamine
CID 65131483

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine (CID 103149216) is 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine is CNC(CCOCC(F)F)c1cccs1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is ZCVKXLURQUZLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c1-13-8(9-3-2-6-15-9)4-5-14-7-10(11)12/h2-3,6,8,10,13H,4-5,7H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 235.30 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 103149216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).