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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Related Compounds

(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene
CID 121234505
(Z)-1,1,1,4-tetrafluoro-3-methylbut-2-ene
CID 166805463
1,1,1-trifluoro-3,4-dimethylhexa-2,4-diene
CID 71376689
1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
CID 71356319
1-methyl-4-[(E)-4,4,4-trifluorobut-2-en-2-yl]sulfanylbenzene
CID 102074972
(E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene
CID 23236252
(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene
CID 11962025
2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene
CID 88615008
4,4-bis(methylsulfanyl)-2-phenylbut-3-en-2-ol
CID 13465706
1,1,2-tris(methylsulfanyl)ethene
CID 597145
1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 160547390
1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene
CID 159561664

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).