(3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene

C9H15FS — CID 155180434

IUPAC(3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene
SMILESC=C(/C=C\CC)SCC(C)F
InChIInChI=1S/C9H15FS/c1-4-5-6-9(3)11-7-8(2)10/h5-6,8H,3-4,7H2,1-2H3/b6-5-
InChIKeyRVRUKOFVSIOFQW-WAYWQWQTSA-N
MW174.28 g/mol
LogP3.56
Rot. Bonds5

About (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene

(3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene (PubChem CID 155180434) has the molecular formula C9H15FS and a molecular weight of 174.28 g/mol. Its IUPAC name is (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene
PubChem CID155180434
Molecular FormulaC9H15FS
Molecular Weight174.28 g/mol
Exact Mass174.09
IUPAC Name(3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene
SMILESC=C(/C=C\CC)SCC(C)F
InChIInChI=1S/C9H15FS/c1-4-5-6-9(3)11-7-8(2)10/h5-6,8H,3-4,7H2,1-2H3/b6-5-
InChIKeyRVRUKOFVSIOFQW-WAYWQWQTSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2H-thiopyran
CID 19737637
4-Ethylthiocyclopentadiene
CID 68403138
2-Ethyl-1-methylthiophen-1-ium
CID 138976345
2-Fluoro-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 68058112
7-Fluoro-7-methyl-2-(propan-2-ylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 70967274
(Z)-1-fluoro-5-methylsulfanylpent-2-ene
CID 89423732
6-Fluoro-2,3-dihydrothionine
CID 91360454
4-Fluoro-3-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 123406958
5-Fluorohexa-1,3-dienyl(trimethyl)-lambda4-sulfane
CID 123645797
1-Fluoro-4-propylsulfanylhept-2-ene
CID 123775050
2-[(Z)-1-ethylsulfanylbut-1-en-3-ynyl]-5-fluorocyclohepta-1,3,5-triene
CID 130391136
7-(2-Fluoro-2-methylpropyl)sulfanyl-2-methylcyclohepta-1,3-diene
CID 134569707

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene?
The IUPAC name of (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene (CID 155180434) is (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene.
What is the SMILES notation for (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene?
The canonical SMILES for (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene is C=C(/C=C\CC)SCC(C)F.
What is the InChIKey of (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene?
The InChIKey is RVRUKOFVSIOFQW-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15FS/c1-4-5-6-9(3)11-7-8(2)10/h5-6,8H,3-4,7H2,1-2H3/b6-5-.
What are the key properties of (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene?
(3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene has a molecular weight of 174.28 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene is sourced from PubChem (CID 155180434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).