(Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene

C7H9F3S — CID 155738054

IUPAC(Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene
SMILESC=C(S/C(C)=C\C)C(F)(F)F
InChIInChI=1S/C7H9F3S/c1-4-5(2)11-6(3)7(8,9)10/h4H,3H2,1-2H3/b5-4-
InChIKeyYVXVVZGAVKTVLP-PLNGDYQASA-N
MW182.21 g/mol
LogP3.72
Rot. Bonds2

About (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene

(Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene (PubChem CID 155738054) has the molecular formula C7H9F3S and a molecular weight of 182.21 g/mol. Its IUPAC name is (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene.

Molecular Properties

Compound Name(Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene
PubChem CID155738054
Molecular FormulaC7H9F3S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name(Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene
SMILESC=C(S/C(C)=C\C)C(F)(F)F
InChIInChI=1S/C7H9F3S/c1-4-5(2)11-6(3)7(8,9)10/h4H,3H2,1-2H3/b5-4-
InChIKeyYVXVVZGAVKTVLP-PLNGDYQASA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1-Fluoro-2-(1-fluoroprop-1-en-2-ylsulfanyl)prop-1-ene
CID 87130289
4-Ethylsulfanyl-1,1,1-trifluoro-2-methylbut-2-ene
CID 91266884
4-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 91312736
1,1,1-Trifluoro-4-propylsulfanylbut-2-ene
CID 91527042
1,1,1-Trifluoro-2-propan-2-ylsulfanylbut-2-ene
CID 123265528
2-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 123528466
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
(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 145166543
(Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene
CID 155738067
(E)-4-ethylsulfanyl-1,1,1-trifluoro-2-methylbut-2-ene
CID 173027083

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene?
The IUPAC name of (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene (CID 155738054) is (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene.
What is the SMILES notation for (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene?
The canonical SMILES for (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene is C=C(S/C(C)=C\C)C(F)(F)F.
What is the InChIKey of (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene?
The InChIKey is YVXVVZGAVKTVLP-PLNGDYQASA-N. The full InChI is InChI=1S/C7H9F3S/c1-4-5(2)11-6(3)7(8,9)10/h4H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene?
(Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene has a molecular weight of 182.21 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)but-2-ene is sourced from PubChem (CID 155738054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).