7-ethylsulfanyl-1,1-difluorohept-1-ene

C9H16F2S — CID 91260680

IUPAC7-ethylsulfanyl-1,1-difluorohept-1-ene
SMILESCCSCCCCCC=C(F)F
InChIInChI=1S/C9H16F2S/c1-2-12-8-6-4-3-5-7-9(10)11/h7H,2-6,8H2,1H3
InChIKeyJQCZBVHZVDQUPK-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.08
Rot. Bonds7

About 7-ethylsulfanyl-1,1-difluorohept-1-ene

7-ethylsulfanyl-1,1-difluorohept-1-ene (PubChem CID 91260680) has the molecular formula C9H16F2S and a molecular weight of 194.29 g/mol. Its IUPAC name is 7-ethylsulfanyl-1,1-difluorohept-1-ene.

Molecular Properties

Compound Name7-ethylsulfanyl-1,1-difluorohept-1-ene
PubChem CID91260680
Molecular FormulaC9H16F2S
Molecular Weight194.29 g/mol
Exact Mass194.09
IUPAC Name7-ethylsulfanyl-1,1-difluorohept-1-ene
SMILESCCSCCCCCC=C(F)F
InChIInChI=1S/C9H16F2S/c1-2-12-8-6-4-3-5-7-9(10)11/h7H,2-6,8H2,1H3
InChIKeyJQCZBVHZVDQUPK-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.08
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 7-ethylsulfanyl-1,1-difluorohept-1-ene?
The IUPAC name of 7-ethylsulfanyl-1,1-difluorohept-1-ene (CID 91260680) is 7-ethylsulfanyl-1,1-difluorohept-1-ene.
What is the SMILES notation for 7-ethylsulfanyl-1,1-difluorohept-1-ene?
The canonical SMILES for 7-ethylsulfanyl-1,1-difluorohept-1-ene is CCSCCCCCC=C(F)F.
What is the InChIKey of 7-ethylsulfanyl-1,1-difluorohept-1-ene?
The InChIKey is JQCZBVHZVDQUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2S/c1-2-12-8-6-4-3-5-7-9(10)11/h7H,2-6,8H2,1H3.
What are the key properties of 7-ethylsulfanyl-1,1-difluorohept-1-ene?
7-ethylsulfanyl-1,1-difluorohept-1-ene has a molecular weight of 194.29 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-1,1-difluorohept-1-ene is sourced from PubChem (CID 91260680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).