(2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane

C14H14F2S — CID 142363332

IUPAC(2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane
SMILESC=C(C)/C(F)=c1/s/c(=C(\F)C(=C)C)c(=C)c1=C
InChIInChI=1S/C14H14F2S/c1-7(2)11(15)13-9(5)10(6)14(17-13)12(16)8(3)4/h1,3,5-6H2,2,4H3/b13-11-,14-12-
InChIKeyLJZGFYOZRZLCCM-XSYHWHKQSA-N
MW252.33 g/mol
LogP1.88
Rot. Bonds2

About (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane

(2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane (PubChem CID 142363332) has the molecular formula C14H14F2S and a molecular weight of 252.33 g/mol. Its IUPAC name is (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane.

Molecular Properties

Compound Name(2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane
PubChem CID142363332
Molecular FormulaC14H14F2S
Molecular Weight252.33 g/mol
Exact Mass252.08
IUPAC Name(2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane
SMILESC=C(C)/C(F)=c1/s/c(=C(\F)C(=C)C)c(=C)c1=C
InChIInChI=1S/C14H14F2S/c1-7(2)11(15)13-9(5)10(6)14(17-13)12(16)8(3)4/h1,3,5-6H2,2,4H3/b13-11-,14-12-
InChIKeyLJZGFYOZRZLCCM-XSYHWHKQSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123823833
5-(2,2-Difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
CID 134364769
(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
(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
(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
CID 145203831
6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene
CID 143452518
2,3-Dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene
CID 169130356
3-Ethyl-2,5-dimethylidenethiophene
CID 68191138
3-Methylidene-2-propan-2-ylidenethiolane
CID 89206772
2,3-Dimethyl-4,5-dimethylidenethiophene
CID 91270080

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane?
The IUPAC name of (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane (CID 142363332) is (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane.
What is the SMILES notation for (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane?
The canonical SMILES for (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane is C=C(C)/C(F)=c1/s/c(=C(\F)C(=C)C)c(=C)c1=C.
What is the InChIKey of (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane?
The InChIKey is LJZGFYOZRZLCCM-XSYHWHKQSA-N. The full InChI is InChI=1S/C14H14F2S/c1-7(2)11(15)13-9(5)10(6)14(17-13)12(16)8(3)4/h1,3,5-6H2,2,4H3/b13-11-,14-12-.
What are the key properties of (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane?
(2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane has a molecular weight of 252.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane is sourced from PubChem (CID 142363332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).