3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene

C6H8F2S — CID 87583409

IUPAC3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene
SMILESC=CC(F)SC(F)C=C
InChIInChI=1S/C6H8F2S/c1-3-5(7)9-6(8)4-2/h3-6H,1-2H2
InChIKeyUQNSCWGCEQYHLO-UHFFFAOYSA-N
MW150.19 g/mol
LogP2.68
Rot. Bonds4

About 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene

3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene (PubChem CID 87583409) has the molecular formula C6H8F2S and a molecular weight of 150.19 g/mol. Its IUPAC name is 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene
PubChem CID87583409
Molecular FormulaC6H8F2S
Molecular Weight150.19 g/mol
Exact Mass150.03
IUPAC Name3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene
SMILESC=CC(F)SC(F)C=C
InChIInChI=1S/C6H8F2S/c1-3-5(7)9-6(8)4-2/h3-6H,1-2H2
InChIKeyUQNSCWGCEQYHLO-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diallyl Sulfide
CID 11617
3-Trifluormethylthiopropen
CID 11263542
Fluoropropenyl sulfide
CID 129804019
2,3-Difluoro-2,5-dihydrothiophene
CID 54262136
3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1,1,1-Trifluoro-3-prop-2-enylsulfanylpropane
CID 59366619
3-(Fluoromethylsulfanyl)prop-1-ene
CID 88119206
4-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 91312736
4-(2-Fluoroethylsulfanyl)buta-1,2-diene
CID 91326476
1,1-Bis(fluoromethyl)thiophene
CID 91351511
1,1,1-Trifluoro-4-propylsulfanylbut-2-ene
CID 91527042
3-(2,2,2-Trifluoroethylsulfanyl)prop-1-ene
CID 102119345

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene?
The IUPAC name of 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene (CID 87583409) is 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene.
What is the SMILES notation for 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene?
The canonical SMILES for 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene is C=CC(F)SC(F)C=C.
What is the InChIKey of 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene?
The InChIKey is UQNSCWGCEQYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2S/c1-3-5(7)9-6(8)4-2/h3-6H,1-2H2.
What are the key properties of 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene?
3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene has a molecular weight of 150.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene is sourced from PubChem (CID 87583409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).