2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene

C5H7F3S — CID 162597256

IUPAC2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene
SMILESC=C(SCC)C(F)(F)F
InChIInChI=1S/C5H7F3S/c1-3-9-4(2)5(6,7)8/h2-3H2,1H3
InChIKeyAWQQXQXBPDDOCF-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.82
Rot. Bonds2

About 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene

2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene (PubChem CID 162597256) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene
PubChem CID162597256
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Name2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene
SMILESC=C(SCC)C(F)(F)F
InChIInChI=1S/C5H7F3S/c1-3-9-4(2)5(6,7)8/h2-3H2,1H3
InChIKeyAWQQXQXBPDDOCF-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylthiopentafluoropropylene
CID 12567445
1,1,2-Trifluoro-3-methylsulfanylprop-1-ene
CID 21300324
3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1,1-Difluoro-3-methylsulfanylprop-1-ene
CID 87187755
1,1,1-Trifluoro-4-prop-1-en-2-ylsulfanylbutane
CID 88875385
1,1-Difluoro-3-propylsulfanylprop-1-ene
CID 91011169
1,1,1-Trifluoro-2-propan-2-ylsulfanylbut-2-ene
CID 123265528
3,3,3-Trifluoro-2-methylsulfanylprop-1-ene
CID 123524871
2-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 123528466
2-Ethenylsulfanyl-3,3,3-trifluoroprop-1-ene
CID 123843684
1,1,1-Trifluoro-2-prop-1-en-2-ylsulfanylpropane
CID 138567434
3,3,3-Trifluoro-2-prop-1-en-2-ylsulfanylprop-1-ene
CID 139572146

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene (CID 162597256) is 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene is C=C(SCC)C(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene?
The InChIKey is AWQQXQXBPDDOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c1-3-9-4(2)5(6,7)8/h2-3H2,1H3.
What are the key properties of 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene?
2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene has a molecular weight of 156.17 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 162597256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).