(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene

C17H19FS — CID 145203819

IUPAC(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
SMILESC=C(F)/C=C\C(=C)C(=C)/C=c1/sc(CCC)cc1=C
InChIInChI=1S/C17H19FS/c1-6-7-16-10-14(4)17(19-16)11-13(3)12(2)8-9-15(5)18/h8-11H,2-7H2,1H3/b9-8-,17-11+
InChIKeyMPOOBDIWNOSZAY-OXGNJBPASA-N
MW274.40 g/mol
LogP4.04
Rot. Bonds6

About (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene

(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene (PubChem CID 145203819) has the molecular formula C17H19FS and a molecular weight of 274.40 g/mol. Its IUPAC name is (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene.

Molecular Properties

Compound Name(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
PubChem CID145203819
Molecular FormulaC17H19FS
Molecular Weight274.40 g/mol
Exact Mass274.12
IUPAC Name(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
SMILESC=C(F)/C=C\C(=C)C(=C)/C=c1/sc(CCC)cc1=C
InChIInChI=1S/C17H19FS/c1-6-7-16-10-14(4)17(19-16)11-13(3)12(2)8-9-15(5)18/h8-11H,2-7H2,1H3/b9-8-,17-11+
InChIKeyMPOOBDIWNOSZAY-OXGNJBPASA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.04
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
7-Fluoro-7-methyl-2-(propan-2-ylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 70967274
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
7-(2-Fluoro-2-methylpropyl)sulfanyl-2-methylcyclohepta-1,3-diene
CID 134569707
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
(2Z)-2-[(2Z)-2-ethylidene-1-fluoropentylidene]-3-methylidenethiophene
CID 145140712
(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
CID 145203814
(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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene?
The IUPAC name of (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene (CID 145203819) is (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene.
What is the SMILES notation for (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene?
The canonical SMILES for (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene is C=C(F)/C=C\C(=C)C(=C)/C=c1/sc(CCC)cc1=C.
What is the InChIKey of (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene?
The InChIKey is MPOOBDIWNOSZAY-OXGNJBPASA-N. The full InChI is InChI=1S/C17H19FS/c1-6-7-16-10-14(4)17(19-16)11-13(3)12(2)8-9-15(5)18/h8-11H,2-7H2,1H3/b9-8-,17-11+.
What are the key properties of (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene?
(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene has a molecular weight of 274.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene is sourced from PubChem (CID 145203819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).