1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane

C6H9F3S — CID 138567434

IUPAC1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane
SMILESC=C(C)SC(C)C(F)(F)F
InChIInChI=1S/C6H9F3S/c1-4(2)10-5(3)6(7,8)9/h5H,1H2,2-3H3
InChIKeyUEPFARGIODNYDZ-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.20
Rot. Bonds2

About 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane

1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane (PubChem CID 138567434) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane
PubChem CID138567434
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane
SMILESC=C(C)SC(C)C(F)(F)F
InChIInChI=1S/C6H9F3S/c1-4(2)10-5(3)6(7,8)9/h5H,1H2,2-3H3
InChIKeyUEPFARGIODNYDZ-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylsulfanyl-2-fluoroprop-1-ene
CID 59154923
3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1,1,1-Trifluoro-3-prop-2-enylsulfanylpropane
CID 59366619
1-Fluoro-2-(1-fluoroprop-1-en-2-ylsulfanyl)prop-1-ene
CID 87130289
3-Fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene
CID 87583409
1,1,1-Trifluoro-4-prop-1-en-2-ylsulfanylbutane
CID 88875385
1,1-Difluoro-3-propylsulfanylprop-1-ene
CID 91011169
4-Ethylsulfanyl-1,1,1-trifluoro-2-methylbut-2-ene
CID 91266884
4-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 91312736
2-Fluoro-1-(2-fluoroprop-1-enylsulfanyl)prop-1-ene
CID 91441980
1,1,1-Trifluoro-4-propylsulfanylbut-2-ene
CID 91527042
3-(2,2,2-Trifluoroethylsulfanyl)prop-1-ene
CID 102119345

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane?
The IUPAC name of 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane (CID 138567434) is 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane.
What is the SMILES notation for 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane?
The canonical SMILES for 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane is C=C(C)SC(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane?
The InChIKey is UEPFARGIODNYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S/c1-4(2)10-5(3)6(7,8)9/h5H,1H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane?
1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane has a molecular weight of 170.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-prop-1-en-2-ylsulfanylpropane is sourced from PubChem (CID 138567434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).