2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine

C8H15F2NS — CID 134569797

IUPAC2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine
SMILESC=C(CSC)N(C)CC(C)(F)F
InChIInChI=1S/C8H15F2NS/c1-7(5-12-4)11(3)6-8(2,9)10/h1,5-6H2,2-4H3
InChIKeyYOYJITDJUIEYTD-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.45
Rot. Bonds5

About 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine

2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine (PubChem CID 134569797) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine
PubChem CID134569797
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine
SMILESC=C(CSC)N(C)CC(C)(F)F
InChIInChI=1S/C8H15F2NS/c1-7(5-12-4)11(3)6-8(2,9)10/h1,5-6H2,2-4H3
InChIKeyYOYJITDJUIEYTD-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine (CID 134569797) is 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine is C=C(CSC)N(C)CC(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine?
The InChIKey is YOYJITDJUIEYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-7(5-12-4)11(3)6-8(2,9)10/h1,5-6H2,2-4H3.
What are the key properties of 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine?
2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-(3-methylsulfanylprop-1-en-2-yl)propan-1-amine is sourced from PubChem (CID 134569797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).