2-(difluoromethylsulfanyl)-N-methylethanamine

C4H9F2NS — CID 122581355

IUPAC2-(difluoromethylsulfanyl)-N-methylethanamine
SMILESCNCCSC(F)F
InChIInChI=1S/C4H9F2NS/c1-7-2-3-8-4(5)6/h4,7H,2-3H2,1H3
InChIKeyOREJDJZMFCIDAS-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.16
Rot. Bonds4

About 2-(difluoromethylsulfanyl)-N-methylethanamine

2-(difluoromethylsulfanyl)-N-methylethanamine (PubChem CID 122581355) has the molecular formula C4H9F2NS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-methylethanamine
PubChem CID122581355
Molecular FormulaC4H9F2NS
Molecular Weight141.19 g/mol
Exact Mass141.04
IUPAC Name2-(difluoromethylsulfanyl)-N-methylethanamine
SMILESCNCCSC(F)F
InChIInChI=1S/C4H9F2NS/c1-7-2-3-8-4(5)6/h4,7H,2-3H2,1H3
InChIKeyOREJDJZMFCIDAS-UHFFFAOYSA-N
XLogP1.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(difluoromethylsulfanyl)-N-methylethanamine?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-methylethanamine (CID 122581355) is 2-(difluoromethylsulfanyl)-N-methylethanamine.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-methylethanamine?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-methylethanamine is CNCCSC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-methylethanamine?
The InChIKey is OREJDJZMFCIDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NS/c1-7-2-3-8-4(5)6/h4,7H,2-3H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-methylethanamine?
2-(difluoromethylsulfanyl)-N-methylethanamine has a molecular weight of 141.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-methylethanamine is sourced from PubChem (CID 122581355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).