(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene

C6H9F3S — CID 145166543

IUPAC(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
SMILESC/C=C(\SCC)C(F)(F)F
InChIInChI=1S/C6H9F3S/c1-3-5(10-4-2)6(7,8)9/h3H,4H2,1-2H3/b5-3-
InChIKeyYIJVFNBEIQNXJF-HYXAFXHYSA-N
MW170.20 g/mol
LogP3.21
Rot. Bonds2

About (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene

(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene (PubChem CID 145166543) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene.

Molecular Properties

Compound Name(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
PubChem CID145166543
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
SMILESC/C=C(\SCC)C(F)(F)F
InChIInChI=1S/C6H9F3S/c1-3-5(10-4-2)6(7,8)9/h3H,4H2,1-2H3/b5-3-
InChIKeyYIJVFNBEIQNXJF-HYXAFXHYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10683046
[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene
CID 15254375
1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene
CID 10379130
(3E)-6,6-bis(ethylsulfanyl)-3-methyl-5-(trifluoromethyl)hexa-3,5-dienoic acid
CID 102573472
S-ethyl 3,3,3-trifluoropropanethioate
CID 19101953
(E)-3-(trifluoromethyl)hex-2-ene
CID 145226506
(E)-5-ethylsulfanyl-6-methylhept-4-en-2-yne-1,6-diol
CID 23272365
ethyl 4,4,4-trifluoro-2-formyl-3-oxobutanoate
CID 90691327
ethyl 3-ethylsulfanylcarbonyl-4,5,5,5-tetrafluoropent-3-enoate
CID 135040835
[amino(ethylsulfanyl)methylidene]azanium
CID 5048191
3-[(1Z,3E)-3-ethylsulfanyl-2-(trifluoromethyl)penta-1,3-dienyl]-2,5-dihydro-1H-pyrrole
CID 143270831
2-chloro-4-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 90747408

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene?
The IUPAC name of (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene (CID 145166543) is (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene.
What is the SMILES notation for (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene?
The canonical SMILES for (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene is C/C=C(\SCC)C(F)(F)F.
What is the InChIKey of (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene?
The InChIKey is YIJVFNBEIQNXJF-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9F3S/c1-3-5(10-4-2)6(7,8)9/h3H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene?
(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene has a molecular weight of 170.20 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene is sourced from PubChem (CID 145166543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).