(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene

C17H17F3S — CID 145203831

IUPAC(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
SMILESC=C(/C=C(\F)C(=C)F)C(=C)/C(F)=c1/sc(CCC)cc1=C
InChIInChI=1S/C17H17F3S/c1-6-7-14-8-11(3)17(21-14)16(20)12(4)10(2)9-15(19)13(5)18/h8-9H,2-7H2,1H3/b15-9+,17-16-
InChIKeyITCLBGXFISKXLX-VSHKNLIQSA-N
MW310.38 g/mol
LogP4.64
Rot. Bonds6

About (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene

(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene (PubChem CID 145203831) has the molecular formula C17H17F3S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene.

Molecular Properties

Compound Name(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
PubChem CID145203831
Molecular FormulaC17H17F3S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
SMILESC=C(/C=C(\F)C(=C)F)C(=C)/C(F)=c1/sc(CCC)cc1=C
InChIInChI=1S/C17H17F3S/c1-6-7-14-8-11(3)17(21-14)16(20)12(4)10(2)9-15(19)13(5)18/h8-9H,2-7H2,1H3/b15-9+,17-16-
InChIKeyITCLBGXFISKXLX-VSHKNLIQSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.64
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

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
(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene
CID 142164566
1-(2-Methylbut-3-en-2-ylsulfanyl)-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 143964347
(2Z)-2-[1-fluoro-2-[4-[(3E,7E)-4,8,9-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclohexa-1,3-dien-1-yl]prop-2-enylidene]-3-methylidene-5-propylthiophene
CID 145203811
(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
CID 145203814
(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
CID 145203819
ethane;(3E)-5-methylidene-3-(trifluoromethylsulfanyl)hepta-1,3-diene
CID 145395031
ethane;(3Z)-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene
CID 145503297
(2Z,4E)-5-buta-1,3-dien-2-ylsulfanyl-7-fluoro-7-methyl-6-methylideneocta-2,4-diene
CID 156057037

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene?
The IUPAC name of (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene (CID 145203831) is (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene.
What is the SMILES notation for (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene?
The canonical SMILES for (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene is C=C(/C=C(\F)C(=C)F)C(=C)/C(F)=c1/sc(CCC)cc1=C.
What is the InChIKey of (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene?
The InChIKey is ITCLBGXFISKXLX-VSHKNLIQSA-N. The full InChI is InChI=1S/C17H17F3S/c1-6-7-14-8-11(3)17(21-14)16(20)12(4)10(2)9-15(19)13(5)18/h8-9H,2-7H2,1H3/b15-9+,17-16-.
What are the key properties of (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene?
(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene has a molecular weight of 310.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene is sourced from PubChem (CID 145203831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).