(5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid

C15H11F3O3 — CID 142848551

IUPAC(5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid
SMILESC=C1OC(C(=O)O)C(C(F)(F)F)=C/C1=c1\ccccc1=C
InChIInChI=1S/C15H11F3O3/c1-8-5-3-4-6-10(8)11-7-12(15(16,17)18)13(14(19)20)21-9(11)2/h3-7,13H,1-2H2,(H,19,20)/b11-10-
InChIKeyGKRNUDPRUPZUSA-KHPPLWFESA-N
MW296.24 g/mol
LogP1.73
Rot. Bonds1

About (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid

(5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid (PubChem CID 142848551) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid.

Molecular Properties

Compound Name(5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid
PubChem CID142848551
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name(5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid
SMILESC=C1OC(C(=O)O)C(C(F)(F)F)=C/C1=c1\ccccc1=C
InChIInChI=1S/C15H11F3O3/c1-8-5-3-4-6-10(8)11-7-12(15(16,17)18)13(14(19)20)21-9(11)2/h3-7,13H,1-2H2,(H,19,20)/b11-10-
InChIKeyGKRNUDPRUPZUSA-KHPPLWFESA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1,1,2,2-Tetrafluoro-2-(1,1,2-trifluoroethoxy)ethoxy]cyclohexa-2,4-diene-1-carboxylic acid
CID 88164420
(2R)-2-[(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]oxypropanoic acid
CID 89016387
3-Cyclohexa-1,5-dien-1-yl-3-(trifluoromethyl)-1,4-dioxane-2,5-dione
CID 132186163
5,5-difluoro-6-methyl-2H-pyran-6-carboxylic acid
CID 141434971
(3R,4R)-3-(1-carboxy-2,2-difluoroethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
CID 142110891
ethyl (4Z)-2-hydroxy-3-methylidene-6-(trifluoromethoxy)hepta-4,6-dienoate
CID 144272205
2-(trifluoromethyl)-4aH-benzo[c]chromene-6-carboxylic acid
CID 153742738
(3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid
CID 156646685
1,4-Bis(fluoromethoxy)cyclohexa-2,4-diene-1-carboxylic acid
CID 175349718
(6E)-5-methyl-6-[(2Z)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethylidene]-3-(trifluoromethyl)-2,5-dihydropyran-2-carboxylic acid
CID 149196441
1,1-difluorocyclobutane;2H-pyran-2-carboxylic acid
CID 160177766
2-[4-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]acetic acid
CID 162601487

Frequently Asked Questions

What is the IUPAC name of (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid?
The IUPAC name of (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid (CID 142848551) is (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid.
What is the SMILES notation for (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid?
The canonical SMILES for (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid is C=C1OC(C(=O)O)C(C(F)(F)F)=C/C1=c1\ccccc1=C.
What is the InChIKey of (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid?
The InChIKey is GKRNUDPRUPZUSA-KHPPLWFESA-N. The full InChI is InChI=1S/C15H11F3O3/c1-8-5-3-4-6-10(8)11-7-12(15(16,17)18)13(14(19)20)21-9(11)2/h3-7,13H,1-2H2,(H,19,20)/b11-10-.
What are the key properties of (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid?
(5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid has a molecular weight of 296.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid is sourced from PubChem (CID 142848551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).