(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene

C7H11F3S — CID 162587996

IUPAC(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene
SMILESCCS/C(=C\C(F)(F)F)CC
InChIInChI=1S/C7H11F3S/c1-3-6(11-4-2)5-7(8,9)10/h5H,3-4H2,1-2H3/b6-5-
InChIKeyQOQGOMFFQXWJRU-WAYWQWQTSA-N
MW184.23 g/mol
LogP3.60
Rot. Bonds3

About (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene

(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene (PubChem CID 162587996) has the molecular formula C7H11F3S and a molecular weight of 184.23 g/mol. Its IUPAC name is (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene.

Molecular Properties

Compound Name(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene
PubChem CID162587996
Molecular FormulaC7H11F3S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Name(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene
SMILESCCS/C(=C\C(F)(F)F)CC
InChIInChI=1S/C7H11F3S/c1-3-6(11-4-2)5-7(8,9)10/h5H,3-4H2,1-2H3/b6-5-
InChIKeyQOQGOMFFQXWJRU-WAYWQWQTSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene?
The IUPAC name of (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene (CID 162587996) is (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene.
What is the SMILES notation for (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene?
The canonical SMILES for (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene is CCS/C(=C\C(F)(F)F)CC.
What is the InChIKey of (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene?
The InChIKey is QOQGOMFFQXWJRU-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11F3S/c1-3-6(11-4-2)5-7(8,9)10/h5H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene?
(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene has a molecular weight of 184.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene is sourced from PubChem (CID 162587996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).