3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine

C10H15F2NOS — CID 103148820

IUPAC3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1C(N)CCOCC(F)F
InChIInChI=1S/C10H15F2NOS/c1-7-3-5-15-10(7)8(13)2-4-14-6-9(11)12/h3,5,8-9H,2,4,6,13H2,1H3
InChIKeyJSMOELFMLFQNOH-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.73
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 103148820) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID103148820
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1C(N)CCOCC(F)F
InChIInChI=1S/C10H15F2NOS/c1-7-3-5-15-10(7)8(13)2-4-14-6-9(11)12/h3,5,8-9H,2,4,6,13H2,1H3
InChIKeyJSMOELFMLFQNOH-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine (CID 103148820) is 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine is Cc1ccsc1C(N)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is JSMOELFMLFQNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c1-7-3-5-15-10(7)8(13)2-4-14-6-9(11)12/h3,5,8-9H,2,4,6,13H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 235.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 103148820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).