3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene

C5H7F3S2 — CID 123444118

IUPAC3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene
SMILESCSC(=CC(F)(F)F)SC
InChIInChI=1S/C5H7F3S2/c1-9-4(10-2)3-5(6,7)8/h3H,1-2H3
InChIKeyWRYTUYSMXWCZPW-UHFFFAOYSA-N
MW188.24 g/mol
LogP3.12
Rot. Bonds2

About 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene

3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene (PubChem CID 123444118) has the molecular formula C5H7F3S2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene
PubChem CID123444118
Molecular FormulaC5H7F3S2
Molecular Weight188.24 g/mol
Exact Mass187.99
IUPAC Name3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene
SMILESCSC(=CC(F)(F)F)SC
InChIInChI=1S/C5H7F3S2/c1-9-4(10-2)3-5(6,7)8/h3H,1-2H3
InChIKeyWRYTUYSMXWCZPW-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene?
The IUPAC name of 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene (CID 123444118) is 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene is CSC(=CC(F)(F)F)SC.
What is the InChIKey of 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene?
The InChIKey is WRYTUYSMXWCZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S2/c1-9-4(10-2)3-5(6,7)8/h3H,1-2H3.
What are the key properties of 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene?
3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene has a molecular weight of 188.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene is sourced from PubChem (CID 123444118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).