1-fluoro-4-propylsulfanylhept-2-ene

C10H19FS — CID 123775050

IUPAC1-fluoro-4-propylsulfanylhept-2-ene
SMILESCCCSC(C=CCF)CCC
InChIInChI=1S/C10H19FS/c1-3-6-10(7-5-8-11)12-9-4-2/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyICZRIRIXIINTLU-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.82
Rot. Bonds7

About 1-fluoro-4-propylsulfanylhept-2-ene

1-fluoro-4-propylsulfanylhept-2-ene (PubChem CID 123775050) has the molecular formula C10H19FS and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-fluoro-4-propylsulfanylhept-2-ene.

Molecular Properties

Compound Name1-fluoro-4-propylsulfanylhept-2-ene
PubChem CID123775050
Molecular FormulaC10H19FS
Molecular Weight190.33 g/mol
Exact Mass190.12
IUPAC Name1-fluoro-4-propylsulfanylhept-2-ene
SMILESCCCSC(C=CCF)CCC
InChIInChI=1S/C10H19FS/c1-3-6-10(7-5-8-11)12-9-4-2/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyICZRIRIXIINTLU-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.82
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

Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134896906
2-Propyl-2,5-dihydrothiophene
CID 15032355
3-Ethylsulfanylcyclohexene
CID 10975594
5-Butyl-2,3-dihydrothiophene
CID 11062496
(E)-1-methylsulfanylhept-2-ene
CID 13215828
3-Ethylsulfanylcyclopentene
CID 13244646
(Z)-7-methylsulfanyl-hept-3-ene
CID 13527978
(E)-1-methylsulfanylhept-3-ene
CID 14024901
(E)-1-methylsulfanyloct-3-ene
CID 14024902
2-n-Propyl-3,6-dihydro-2h-thiapyran
CID 15130795
3-Ethylthio-3-hexene
CID 15905675

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propylsulfanylhept-2-ene?
The IUPAC name of 1-fluoro-4-propylsulfanylhept-2-ene (CID 123775050) is 1-fluoro-4-propylsulfanylhept-2-ene.
What is the SMILES notation for 1-fluoro-4-propylsulfanylhept-2-ene?
The canonical SMILES for 1-fluoro-4-propylsulfanylhept-2-ene is CCCSC(C=CCF)CCC.
What is the InChIKey of 1-fluoro-4-propylsulfanylhept-2-ene?
The InChIKey is ICZRIRIXIINTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FS/c1-3-6-10(7-5-8-11)12-9-4-2/h5,7,10H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-fluoro-4-propylsulfanylhept-2-ene?
1-fluoro-4-propylsulfanylhept-2-ene has a molecular weight of 190.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propylsulfanylhept-2-ene is sourced from PubChem (CID 123775050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).