3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene

C6H6F4S — CID 165178635

IUPAC3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene
SMILESFC(F)=CCSCC=C(F)F
InChIInChI=1S/C6H6F4S/c7-5(8)1-3-11-4-2-6(9)10/h1-2H,3-4H2
InChIKeyBHXZHXSPWOFTOV-UHFFFAOYSA-N
MW186.17 g/mol
LogP3.28
Rot. Bonds4

About 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene

3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene (PubChem CID 165178635) has the molecular formula C6H6F4S and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene.

Molecular Properties

Compound Name3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene
PubChem CID165178635
Molecular FormulaC6H6F4S
Molecular Weight186.17 g/mol
Exact Mass186.01
IUPAC Name3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene
SMILESFC(F)=CCSCC=C(F)F
InChIInChI=1S/C6H6F4S/c7-5(8)1-3-11-4-2-6(9)10/h1-2H,3-4H2
InChIKeyBHXZHXSPWOFTOV-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 53.28
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 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene?
The IUPAC name of 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene (CID 165178635) is 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene.
What is the SMILES notation for 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene?
The canonical SMILES for 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene is FC(F)=CCSCC=C(F)F.
What is the InChIKey of 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene?
The InChIKey is BHXZHXSPWOFTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4S/c7-5(8)1-3-11-4-2-6(9)10/h1-2H,3-4H2.
What are the key properties of 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene?
3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene has a molecular weight of 186.17 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene is sourced from PubChem (CID 165178635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).