3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene

C6H7F3S — CID 139572146

IUPAC3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene
SMILESC=C(C)SC(=C)C(F)(F)F
InChIInChI=1S/C6H7F3S/c1-4(2)10-5(3)6(7,8)9/h1,3H2,2H3
InChIKeyFEIRSZXVVFLAEL-UHFFFAOYSA-N
MW168.18 g/mol
LogP3.33
Rot. Bonds2

About 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene

3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene (PubChem CID 139572146) has the molecular formula C6H7F3S and a molecular weight of 168.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene
PubChem CID139572146
Molecular FormulaC6H7F3S
Molecular Weight168.18 g/mol
Exact Mass168.02
IUPAC Name3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene
SMILESC=C(C)SC(=C)C(F)(F)F
InChIInChI=1S/C6H7F3S/c1-4(2)10-5(3)6(7,8)9/h1,3H2,2H3
InChIKeyFEIRSZXVVFLAEL-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Trifluoroisopropenyl sulfide
CID 129811934
1-Fluoro-2-(1-fluoroprop-1-en-2-ylsulfanyl)prop-1-ene
CID 87130289
3,3,3-Trifluoro-2-methylsulfanylprop-1-ene
CID 123524871
1,1,1-Trifluoro-2-prop-1-en-2-ylsulfanylpropane
CID 138567434
(Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene
CID 155738054
(Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene
CID 155738067
2-Ethylsulfanyl-3,3,3-trifluoroprop-1-ene
CID 162597256

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene?
The IUPAC name of 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene (CID 139572146) is 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene is C=C(C)SC(=C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene?
The InChIKey is FEIRSZXVVFLAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3S/c1-4(2)10-5(3)6(7,8)9/h1,3H2,2H3.
What are the key properties of 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene?
3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene has a molecular weight of 168.18 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene is sourced from PubChem (CID 139572146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).