3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene

C6H7F3S2 — CID 162612829

IUPAC3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene
SMILESC=C(SC)SC(=C)C(F)(F)F
InChIInChI=1S/C6H7F3S2/c1-4(6(7,8)9)11-5(2)10-3/h1-2H2,3H3
InChIKeyMUXIZACQQXWVIC-UHFFFAOYSA-N
MW200.25 g/mol
LogP3.63
Rot. Bonds3

About 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene

3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene (PubChem CID 162612829) has the molecular formula C6H7F3S2 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene
PubChem CID162612829
Molecular FormulaC6H7F3S2
Molecular Weight200.25 g/mol
Exact Mass199.99
IUPAC Name3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene
SMILESC=C(SC)SC(=C)C(F)(F)F
InChIInChI=1S/C6H7F3S2/c1-4(6(7,8)9)11-5(2)10-3/h1-2H2,3H3
InChIKeyMUXIZACQQXWVIC-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 53.63
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-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene?
The IUPAC name of 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene (CID 162612829) is 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene is C=C(SC)SC(=C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene?
The InChIKey is MUXIZACQQXWVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3S2/c1-4(6(7,8)9)11-5(2)10-3/h1-2H2,3H3.
What are the key properties of 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene?
3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene has a molecular weight of 200.25 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1-methylsulfanylethenylsulfanyl)prop-1-ene is sourced from PubChem (CID 162612829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).