3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine

C7H15F2NOS — CID 165462188

IUPAC3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine
SMILESCCSCCOCC(F)(F)CN
InChIInChI=1S/C7H15F2NOS/c1-2-12-4-3-11-6-7(8,9)5-10/h2-6,10H2,1H3
InChIKeyMWVDXEGWMSLPFH-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.35
Rot. Bonds7

About 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine

3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine (PubChem CID 165462188) has the molecular formula C7H15F2NOS and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine
PubChem CID165462188
Molecular FormulaC7H15F2NOS
Molecular Weight199.27 g/mol
Exact Mass199.08
IUPAC Name3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine
SMILESCCSCCOCC(F)(F)CN
InChIInChI=1S/C7H15F2NOS/c1-2-12-4-3-11-6-7(8,9)5-10/h2-6,10H2,1H3
InChIKeyMWVDXEGWMSLPFH-UHFFFAOYSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.35
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-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine?
The IUPAC name of 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine (CID 165462188) is 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine is CCSCCOCC(F)(F)CN.
What is the InChIKey of 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine?
The InChIKey is MWVDXEGWMSLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NOS/c1-2-12-4-3-11-6-7(8,9)5-10/h2-6,10H2,1H3.
What are the key properties of 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine?
3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethoxy)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 165462188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).