1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene

C6H10F2S — CID 20590726

IUPAC1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene
SMILESCSC(=C(F)F)C(C)C
InChIInChI=1S/C6H10F2S/c1-4(2)5(9-3)6(7)8/h4H,1-3H3
InChIKeyFLDQSBGNUITWKX-UHFFFAOYSA-N
MW152.21 g/mol
LogP3.11
Rot. Bonds2

About 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene

1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene (PubChem CID 20590726) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene
PubChem CID20590726
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene
SMILESCSC(=C(F)F)C(C)C
InChIInChI=1S/C6H10F2S/c1-4(2)5(9-3)6(7)8/h4H,1-3H3
InChIKeyFLDQSBGNUITWKX-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene 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 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene?
The IUPAC name of 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene (CID 20590726) is 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene.
What is the SMILES notation for 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene?
The canonical SMILES for 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene is CSC(=C(F)F)C(C)C.
What is the InChIKey of 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene?
The InChIKey is FLDQSBGNUITWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c1-4(2)5(9-3)6(7)8/h4H,1-3H3.
What are the key properties of 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene?
1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene has a molecular weight of 152.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-2-methylsulfanylbut-1-ene is sourced from PubChem (CID 20590726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).