1,1,2-trifluoro-3-methylsulfanylprop-1-ene

C4H5F3S — CID 21300324

IUPAC1,1,2-trifluoro-3-methylsulfanylprop-1-ene
SMILESCSCC(F)=C(F)F
InChIInChI=1S/C4H5F3S/c1-8-2-3(5)4(6)7/h2H2,1H3
InChIKeyCQBVLBMGPUNECJ-UHFFFAOYSA-N
MW142.14 g/mol
LogP2.43
Rot. Bonds2

About 1,1,2-trifluoro-3-methylsulfanylprop-1-ene

1,1,2-trifluoro-3-methylsulfanylprop-1-ene (PubChem CID 21300324) has the molecular formula C4H5F3S and a molecular weight of 142.14 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name1,1,2-trifluoro-3-methylsulfanylprop-1-ene
PubChem CID21300324
Molecular FormulaC4H5F3S
Molecular Weight142.14 g/mol
Exact Mass142.01
IUPAC Name1,1,2-trifluoro-3-methylsulfanylprop-1-ene
SMILESCSCC(F)=C(F)F
InChIInChI=1S/C4H5F3S/c1-8-2-3(5)4(6)7/h2H2,1H3
InChIKeyCQBVLBMGPUNECJ-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylthiopentafluoropropylene
CID 12567445
Trifluoromethyl isopropyl sulfide
CID 588919
1-Fluoro-2-(trifluoromethylsulfanyl)propane
CID 13708908
1,1,1,3,3,3-Hexafluoro-2-methylsulfanylpropane
CID 15655246
1,1,1-Trifluoro-2-methylsulfanylpropane
CID 53779299
1-(Trifluoromethylsulfanyl)propane
CID 53807921
Ethane;1,1,1-trifluoro-2-methylsulfanylpropane
CID 54001093
1,1,1-Trifluoro-3-methylsulfanylpropane
CID 87155189
1-Ethylsulfanyl-1,2,2-trifluoroethene
CID 87155924
1,1,2-Trifluoro-4-methylsulfanylbut-1-ene
CID 87187667
1,1-Difluoro-3-methylsulfanylprop-1-ene
CID 87187755
3,3,3-Trifluoro-2-methylsulfanylprop-1-ene
CID 123524871

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-3-methylsulfanylprop-1-ene?
The IUPAC name of 1,1,2-trifluoro-3-methylsulfanylprop-1-ene (CID 21300324) is 1,1,2-trifluoro-3-methylsulfanylprop-1-ene.
What is the SMILES notation for 1,1,2-trifluoro-3-methylsulfanylprop-1-ene?
The canonical SMILES for 1,1,2-trifluoro-3-methylsulfanylprop-1-ene is CSCC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-3-methylsulfanylprop-1-ene?
The InChIKey is CQBVLBMGPUNECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3S/c1-8-2-3(5)4(6)7/h2H2,1H3.
What are the key properties of 1,1,2-trifluoro-3-methylsulfanylprop-1-ene?
1,1,2-trifluoro-3-methylsulfanylprop-1-ene has a molecular weight of 142.14 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-methylsulfanylprop-1-ene is sourced from PubChem (CID 21300324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).