2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol

C9H10F2S — CID 123538472

IUPAC2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol
SMILESC=C=C(C=C(F)C=C(C)F)CS
InChIInChI=1S/C9H10F2S/c1-3-8(6-12)5-9(11)4-7(2)10/h4-5,12H,1,6H2,2H3
InChIKeyUVKDIKSKCKTLBH-UHFFFAOYSA-N
MW188.24 g/mol
LogP3.35
Rot. Bonds3

About 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol

2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol (PubChem CID 123538472) has the molecular formula C9H10F2S and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol.

Molecular Properties

Compound Name2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol
PubChem CID123538472
Molecular FormulaC9H10F2S
Molecular Weight188.24 g/mol
Exact Mass188.05
IUPAC Name2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol
SMILESC=C=C(C=C(F)C=C(C)F)CS
InChIInChI=1S/C9H10F2S/c1-3-8(6-12)5-9(11)4-7(2)10/h4-5,12H,1,6H2,2H3
InChIKeyUVKDIKSKCKTLBH-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-triene-2-thiol
CID 88863446
(3E)-6-fluoro-3-methylhepta-3,5-dienethial
CID 123390603
(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol
CID 130392781
3-Fluoro-2-methylcyclohepta-1,3,5-triene-1-thiol
CID 141768819
[(2E,4Z)-2-ethenylhepta-2,4-dienyl] thiohypofluorite
CID 141824765
(3Z)-3,4-difluoro-2-methylidenehexa-3,5-diene-1-thiol
CID 142259058
(4-Fluorocyclohepta-1,3,5-trien-1-yl)methanethiol
CID 142981239
[3-(Trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanethiol
CID 142981240
ethane;(2E,3Z,5Z)-2-ethylidene-5-(2,2,2-trifluoroethyl)hepta-3,5-diene-1-thiol
CID 143345614
[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite
CID 143597734
[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-lambda4-sulfane
CID 143617726
(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-triene-3-thiol
CID 145032143

Frequently Asked Questions

What is the IUPAC name of 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol?
The IUPAC name of 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol (CID 123538472) is 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol.
What is the SMILES notation for 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol?
The canonical SMILES for 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol is C=C=C(C=C(F)C=C(C)F)CS.
What is the InChIKey of 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol?
The InChIKey is UVKDIKSKCKTLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2S/c1-3-8(6-12)5-9(11)4-7(2)10/h4-5,12H,1,6H2,2H3.
What are the key properties of 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol?
2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol has a molecular weight of 188.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol is sourced from PubChem (CID 123538472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).