4-ethylsulfanyl-1,1-difluorobut-1-ene

C6H10F2S — CID 91252705

IUPAC4-ethylsulfanyl-1,1-difluorobut-1-ene
SMILESCCSCCC=C(F)F
InChIInChI=1S/C6H10F2S/c1-2-9-5-3-4-6(7)8/h4H,2-3,5H2,1H3
InChIKeyBXSRRJDRNIOIGT-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.91
Rot. Bonds4

About 4-ethylsulfanyl-1,1-difluorobut-1-ene

4-ethylsulfanyl-1,1-difluorobut-1-ene (PubChem CID 91252705) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 4-ethylsulfanyl-1,1-difluorobut-1-ene.

Molecular Properties

Compound Name4-ethylsulfanyl-1,1-difluorobut-1-ene
PubChem CID91252705
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name4-ethylsulfanyl-1,1-difluorobut-1-ene
SMILESCCSCCC=C(F)F
InChIInChI=1S/C6H10F2S/c1-2-9-5-3-4-6(7)8/h4H,2-3,5H2,1H3
InChIKeyBXSRRJDRNIOIGT-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1,1-difluorobut-1-ene?
The IUPAC name of 4-ethylsulfanyl-1,1-difluorobut-1-ene (CID 91252705) is 4-ethylsulfanyl-1,1-difluorobut-1-ene.
What is the SMILES notation for 4-ethylsulfanyl-1,1-difluorobut-1-ene?
The canonical SMILES for 4-ethylsulfanyl-1,1-difluorobut-1-ene is CCSCCC=C(F)F.
What is the InChIKey of 4-ethylsulfanyl-1,1-difluorobut-1-ene?
The InChIKey is BXSRRJDRNIOIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c1-2-9-5-3-4-6(7)8/h4H,2-3,5H2,1H3.
What are the key properties of 4-ethylsulfanyl-1,1-difluorobut-1-ene?
4-ethylsulfanyl-1,1-difluorobut-1-ene has a molecular weight of 152.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1,1-difluorobut-1-ene is sourced from PubChem (CID 91252705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).