(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene

C17H16F2S — CID 145203814

IUPAC(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
SMILESC=C(/C=c1\sc(/C=C/C)cc1=C)C(=C)/C=C(/F)C(=C)F
InChIInChI=1S/C17H16F2S/c1-6-7-15-8-13(4)17(20-15)10-12(3)11(2)9-16(19)14(5)18/h6-10H,2-5H2,1H3/b7-6+,16-9+,17-10+
InChIKeyDXGWHHMRPDETOP-KRSSHVRNSA-N
MW290.38 g/mol
LogP4.42
Rot. Bonds5

About (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene

(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene (PubChem CID 145203814) has the molecular formula C17H16F2S and a molecular weight of 290.38 g/mol. Its IUPAC name is (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene.

Molecular Properties

Compound Name(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
PubChem CID145203814
Molecular FormulaC17H16F2S
Molecular Weight290.38 g/mol
Exact Mass290.09
IUPAC Name(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
SMILESC=C(/C=c1\sc(/C=C/C)cc1=C)C(=C)/C=C(/F)C(=C)F
InChIInChI=1S/C17H16F2S/c1-6-7-15-8-13(4)17(20-15)10-12(3)11(2)9-16(19)14(5)18/h6-10H,2-5H2,1H3/b7-6+,16-9+,17-10+
InChIKeyDXGWHHMRPDETOP-KRSSHVRNSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.42
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

5-[2,3-Bis(tert-butylsulfanyl)cycloprop-2-en-1-ylidene]cyclopenta-1,3-diene
CID 13020089
1,1,1-Trifluoro-4-(2-methylbut-3-en-2-ylsulfanyl)octa-3,5-diene
CID 91076316
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
2-Ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123823833
(3Z,6Z,8Z,9Z)-4-[(E)-3-fluoro-1-methylsulfanylprop-1-enyl]-6,7-dimethyl-8-prop-2-enylidenedodeca-1,3,6,9,11-pentaene
CID 126516765
5-(2,2-Difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
CID 134364769
2-[(2Z,3Z,5Z)-2-(fluoromethylidene)hepta-3,5-dienyl]sulfanyl-1-methylcyclohepta-1,3,5-triene
CID 139457504
1-(2-Methylbut-3-en-2-ylsulfanyl)-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 143964347
(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
CID 145203819
(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
CID 145203831
ethane;(3E)-5-methylidene-3-(trifluoromethylsulfanyl)hepta-1,3-diene
CID 145395031
ethane;(3Z)-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene
CID 145503297

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene?
The IUPAC name of (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene (CID 145203814) is (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene.
What is the SMILES notation for (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene?
The canonical SMILES for (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene is C=C(/C=c1\sc(/C=C/C)cc1=C)C(=C)/C=C(/F)C(=C)F.
What is the InChIKey of (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene?
The InChIKey is DXGWHHMRPDETOP-KRSSHVRNSA-N. The full InChI is InChI=1S/C17H16F2S/c1-6-7-15-8-13(4)17(20-15)10-12(3)11(2)9-16(19)14(5)18/h6-10H,2-5H2,1H3/b7-6+,16-9+,17-10+.
What are the key properties of (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene?
(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene has a molecular weight of 290.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene is sourced from PubChem (CID 145203814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).