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

C5H8F2S — CID 167253716

IUPAC3,3-difluoro-2-methylsulfanylbut-1-ene
SMILESC=C(SC)C(C)(F)F
InChIInChI=1S/C5H8F2S/c1-4(8-3)5(2,6)7/h1H2,2-3H3
InChIKeyMZIDOCVUDQVHOK-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.52
Rot. Bonds2

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

3,3-difluoro-2-methylsulfanylbut-1-ene (PubChem CID 167253716) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 3,3-difluoro-2-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name3,3-difluoro-2-methylsulfanylbut-1-ene
PubChem CID167253716
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name3,3-difluoro-2-methylsulfanylbut-1-ene
SMILESC=C(SC)C(C)(F)F
InChIInChI=1S/C5H8F2S/c1-4(8-3)5(2,6)7/h1H2,2-3H3
InChIKeyMZIDOCVUDQVHOK-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylsulfanylbut-1-ene?
The IUPAC name of 3,3-difluoro-2-methylsulfanylbut-1-ene (CID 167253716) is 3,3-difluoro-2-methylsulfanylbut-1-ene.
What is the SMILES notation for 3,3-difluoro-2-methylsulfanylbut-1-ene?
The canonical SMILES for 3,3-difluoro-2-methylsulfanylbut-1-ene is C=C(SC)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-2-methylsulfanylbut-1-ene?
The InChIKey is MZIDOCVUDQVHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c1-4(8-3)5(2,6)7/h1H2,2-3H3.
What are the key properties of 3,3-difluoro-2-methylsulfanylbut-1-ene?
3,3-difluoro-2-methylsulfanylbut-1-ene has a molecular weight of 138.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylsulfanylbut-1-ene is sourced from PubChem (CID 167253716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).