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

C7H10F2S — CID 155738067

IUPAC(Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene
SMILESC=C(S/C(C)=C\C)C(F)F
InChIInChI=1S/C7H10F2S/c1-4-5(2)10-6(3)7(8)9/h4,7H,3H2,1-2H3/b5-4-
InChIKeyYOQDWJNOPFYONE-PLNGDYQASA-N
MW164.22 g/mol
LogP3.42
Rot. Bonds3

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

(Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene (PubChem CID 155738067) has the molecular formula C7H10F2S and a molecular weight of 164.22 g/mol. Its IUPAC name is (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene.

Molecular Properties

Compound Name(Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene
PubChem CID155738067
Molecular FormulaC7H10F2S
Molecular Weight164.22 g/mol
Exact Mass164.05
IUPAC Name(Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene
SMILESC=C(S/C(C)=C\C)C(F)F
InChIInChI=1S/C7H10F2S/c1-4-5(2)10-6(3)7(8)9/h4,7H,3H2,1-2H3/b5-4-
InChIKeyYOQDWJNOPFYONE-PLNGDYQASA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene?
The IUPAC name of (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene (CID 155738067) is (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene.
What is the SMILES notation for (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene?
The canonical SMILES for (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene is C=C(S/C(C)=C\C)C(F)F.
What is the InChIKey of (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene?
The InChIKey is YOQDWJNOPFYONE-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10F2S/c1-4-5(2)10-6(3)7(8)9/h4,7H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene?
(Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene has a molecular weight of 164.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,3-difluoroprop-1-en-2-ylsulfanyl)but-2-ene is sourced from PubChem (CID 155738067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).