1,1,2-trifluoro-4-methylsulfanylbut-1-ene

C5H7F3S — CID 87187667

IUPAC1,1,2-trifluoro-4-methylsulfanylbut-1-ene
SMILESCSCCC(F)=C(F)F
InChIInChI=1S/C5H7F3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3
InChIKeyDSAWRUBGAKYYSL-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.82
Rot. Bonds3

About 1,1,2-trifluoro-4-methylsulfanylbut-1-ene

1,1,2-trifluoro-4-methylsulfanylbut-1-ene (PubChem CID 87187667) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is 1,1,2-trifluoro-4-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name1,1,2-trifluoro-4-methylsulfanylbut-1-ene
PubChem CID87187667
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Name1,1,2-trifluoro-4-methylsulfanylbut-1-ene
SMILESCSCCC(F)=C(F)F
InChIInChI=1S/C5H7F3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3
InChIKeyDSAWRUBGAKYYSL-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-4-methylsulfanylbut-1-ene?
The IUPAC name of 1,1,2-trifluoro-4-methylsulfanylbut-1-ene (CID 87187667) is 1,1,2-trifluoro-4-methylsulfanylbut-1-ene.
What is the SMILES notation for 1,1,2-trifluoro-4-methylsulfanylbut-1-ene?
The canonical SMILES for 1,1,2-trifluoro-4-methylsulfanylbut-1-ene is CSCCC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-4-methylsulfanylbut-1-ene?
The InChIKey is DSAWRUBGAKYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3.
What are the key properties of 1,1,2-trifluoro-4-methylsulfanylbut-1-ene?
1,1,2-trifluoro-4-methylsulfanylbut-1-ene has a molecular weight of 156.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-4-methylsulfanylbut-1-ene is sourced from PubChem (CID 87187667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).