1,1-difluoro-3-propylsulfanylprop-1-ene

C6H10F2S — CID 91011169

IUPAC1,1-difluoro-3-propylsulfanylprop-1-ene
SMILESCCCSCC=C(F)F
InChIInChI=1S/C6H10F2S/c1-2-4-9-5-3-6(7)8/h3H,2,4-5H2,1H3
InChIKeyQNRFKGPDCVDRJC-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.91
Rot. Bonds4

About 1,1-difluoro-3-propylsulfanylprop-1-ene

1,1-difluoro-3-propylsulfanylprop-1-ene (PubChem CID 91011169) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 1,1-difluoro-3-propylsulfanylprop-1-ene.

Molecular Properties

Compound Name1,1-difluoro-3-propylsulfanylprop-1-ene
PubChem CID91011169
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name1,1-difluoro-3-propylsulfanylprop-1-ene
SMILESCCCSCC=C(F)F
InChIInChI=1S/C6H10F2S/c1-2-4-9-5-3-6(7)8/h3H,2,4-5H2,1H3
InChIKeyQNRFKGPDCVDRJC-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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Related Compounds

4-Ethylsulfanyl-1,1,2-trifluorobut-1-ene
CID 59154820
3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1,1,1-Trifluoro-3-prop-2-enylsulfanylpropane
CID 59366619
1,1-Difluoro-4-methylsulfanylbut-1-ene
CID 87187655
1,1-Difluoro-5-methylsulfanylpent-1-ene
CID 87187693
1,1-Difluoro-3-methylsulfanylprop-1-ene
CID 87187755
1,1,1-Trifluoro-4-prop-1-en-2-ylsulfanylbutane
CID 88875385
1,1,2-Trifluoro-4-propylsulfanylbut-1-ene
CID 90743974
4-Ethylsulfanyl-1,1-difluorobut-1-ene
CID 91252705
4-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 91312736
5-Ethylsulfanyl-1,1-difluoropent-1-ene
CID 91425398
1,1,1-Trifluoro-4-propylsulfanylbut-2-ene
CID 91527042

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-propylsulfanylprop-1-ene?
The IUPAC name of 1,1-difluoro-3-propylsulfanylprop-1-ene (CID 91011169) is 1,1-difluoro-3-propylsulfanylprop-1-ene.
What is the SMILES notation for 1,1-difluoro-3-propylsulfanylprop-1-ene?
The canonical SMILES for 1,1-difluoro-3-propylsulfanylprop-1-ene is CCCSCC=C(F)F.
What is the InChIKey of 1,1-difluoro-3-propylsulfanylprop-1-ene?
The InChIKey is QNRFKGPDCVDRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c1-2-4-9-5-3-6(7)8/h3H,2,4-5H2,1H3.
What are the key properties of 1,1-difluoro-3-propylsulfanylprop-1-ene?
1,1-difluoro-3-propylsulfanylprop-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 1,1-difluoro-3-propylsulfanylprop-1-ene is sourced from PubChem (CID 91011169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).