(2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane

C22H23F5S — CID 153380781

IUPAC(2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane
SMILESC=c1c(=C)/c(=C(F)/C(=C\C)C2=CCC(C)CC2)s/c1=C(F)/C(=C\C)C(F)(F)F
InChIInChI=1S/C22H23F5S/c1-6-16(15-10-8-12(3)9-11-15)18(23)20-13(4)14(5)21(28-20)19(24)17(7-2)22(25,26)27/h6-7,10,12H,4-5,8-9,11H2,1-3H3/b16-6-,17-7+,20-18-,21-19-
InChIKeyQQYTUZUQXBKZOM-FYWKTZEASA-N
MW414.48 g/mol
LogP4.93
Rot. Bonds3

About (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane

(2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane (PubChem CID 153380781) has the molecular formula C22H23F5S and a molecular weight of 414.48 g/mol. Its IUPAC name is (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane.

Molecular Properties

Compound Name(2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane
PubChem CID153380781
Molecular FormulaC22H23F5S
Molecular Weight414.48 g/mol
Exact Mass414.14
IUPAC Name(2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane
SMILESC=c1c(=C)/c(=C(F)/C(=C\C)C2=CCC(C)CC2)s/c1=C(F)/C(=C\C)C(F)(F)F
InChIInChI=1S/C22H23F5S/c1-6-16(15-10-8-12(3)9-11-15)18(23)20-13(4)14(5)21(28-20)19(24)17(7-2)22(25,26)27/h6-7,10,12H,4-5,8-9,11H2,1-3H3/b16-6-,17-7+,20-18-,21-19-
InChIKeyQQYTUZUQXBKZOM-FYWKTZEASA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane with MolForge

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Related Compounds

4,13-Dimethyl-10-propan-2-yl-6-(trifluoromethyl)-9-thiabicyclo[6.5.0]trideca-1(8),4,6,10-tetraene
CID 123334016
(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-[(12Z)-14-fluoro-3,6,7,10-tetramethyl-2,11-dimethylidenepentadeca-12,14-dienylidene]-3-methylidene-5-propylthiophene
CID 145203830
2-(4-Butylcyclohex-3-en-1-yl)sulfanyl-1,3-bis(trifluoromethyl)cyclohexene
CID 167148380
2-[(1Z)-1-cyclohexa-1,3-dien-1-ylbuta-1,3-dienyl]-4-ethylthiolane
CID 167073834

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane?
The IUPAC name of (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane (CID 153380781) is (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane.
What is the SMILES notation for (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane?
The canonical SMILES for (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane is C=c1c(=C)/c(=C(F)/C(=C\C)C2=CCC(C)CC2)s/c1=C(F)/C(=C\C)C(F)(F)F.
What is the InChIKey of (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane?
The InChIKey is QQYTUZUQXBKZOM-FYWKTZEASA-N. The full InChI is InChI=1S/C22H23F5S/c1-6-16(15-10-8-12(3)9-11-15)18(23)20-13(4)14(5)21(28-20)19(24)17(7-2)22(25,26)27/h6-7,10,12H,4-5,8-9,11H2,1-3H3/b16-6-,17-7+,20-18-,21-19-.
What are the key properties of (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane?
(2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane has a molecular weight of 414.48 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[(Z)-1-fluoro-2-(4-methylcyclohexen-1-yl)but-2-enylidene]-5-[(E)-1-fluoro-2-(trifluoromethyl)but-2-enylidene]-3,4-dimethylidenethiolane is sourced from PubChem (CID 153380781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).