6-ethylsulfanyl-1,1-difluorohex-1-ene

C8H14F2S — CID 90901673

IUPAC6-ethylsulfanyl-1,1-difluorohex-1-ene
SMILESCCSCCCCC=C(F)F
InChIInChI=1S/C8H14F2S/c1-2-11-7-5-3-4-6-8(9)10/h6H,2-5,7H2,1H3
InChIKeyKXGKORJTSIMHDA-UHFFFAOYSA-N
MW180.26 g/mol
LogP3.69
Rot. Bonds6

About 6-ethylsulfanyl-1,1-difluorohex-1-ene

6-ethylsulfanyl-1,1-difluorohex-1-ene (PubChem CID 90901673) has the molecular formula C8H14F2S and a molecular weight of 180.26 g/mol. Its IUPAC name is 6-ethylsulfanyl-1,1-difluorohex-1-ene.

Molecular Properties

Compound Name6-ethylsulfanyl-1,1-difluorohex-1-ene
PubChem CID90901673
Molecular FormulaC8H14F2S
Molecular Weight180.26 g/mol
Exact Mass180.08
IUPAC Name6-ethylsulfanyl-1,1-difluorohex-1-ene
SMILESCCSCCCCC=C(F)F
InChIInChI=1S/C8H14F2S/c1-2-11-7-5-3-4-6-8(9)10/h6H,2-5,7H2,1H3
InChIKeyKXGKORJTSIMHDA-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 53.69
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 6-ethylsulfanyl-1,1-difluorohex-1-ene?
The IUPAC name of 6-ethylsulfanyl-1,1-difluorohex-1-ene (CID 90901673) is 6-ethylsulfanyl-1,1-difluorohex-1-ene.
What is the SMILES notation for 6-ethylsulfanyl-1,1-difluorohex-1-ene?
The canonical SMILES for 6-ethylsulfanyl-1,1-difluorohex-1-ene is CCSCCCCC=C(F)F.
What is the InChIKey of 6-ethylsulfanyl-1,1-difluorohex-1-ene?
The InChIKey is KXGKORJTSIMHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2S/c1-2-11-7-5-3-4-6-8(9)10/h6H,2-5,7H2,1H3.
What are the key properties of 6-ethylsulfanyl-1,1-difluorohex-1-ene?
6-ethylsulfanyl-1,1-difluorohex-1-ene has a molecular weight of 180.26 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1,1-difluorohex-1-ene is sourced from PubChem (CID 90901673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).