4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid

C11H6F6O4 — CID 91470436

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid
SMILESO=C(O)C1=CCC(=C(C(F)(F)F)C(F)(F)F)C=C1C(=O)O
InChIInChI=1S/C11H6F6O4/c12-10(13,14)7(11(15,16)17)4-1-2-5(8(18)19)6(3-4)9(20)21/h2-3H,1H2,(H,18,19)(H,20,21)
InChIKeyWDXZUTKKLRWZHC-UHFFFAOYSA-N
MW316.15 g/mol
LogP2.83
Rot. Bonds2

About 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid

4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid (PubChem CID 91470436) has the molecular formula C11H6F6O4 and a molecular weight of 316.15 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid
PubChem CID91470436
Molecular FormulaC11H6F6O4
Molecular Weight316.15 g/mol
Exact Mass316.02
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid
SMILESO=C(O)C1=CCC(=C(C(F)(F)F)C(F)(F)F)C=C1C(=O)O
InChIInChI=1S/C11H6F6O4/c12-10(13,14)7(11(15,16)17)4-1-2-5(8(18)19)6(3-4)9(20)21/h2-3H,1H2,(H,18,19)(H,20,21)
InChIKeyWDXZUTKKLRWZHC-UHFFFAOYSA-N
XLogP2.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid with MolForge

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Related Compounds

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CID 86006738
1,4-Difluorocyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid
CID 22598626
1-Fluoro-4-(trifluoromethyl)cyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid
CID 23304015
1,4-Bis(trifluoromethyl)cyclohexa-2,5-diene-1,2,4,5-tetracarboxylic acid
CID 23304022
2-(3,3,4,4,4-Pentafluorobutylidene)butanedioic acid
CID 53696789
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluorononylidene)butanedioic acid
CID 53699998
2-(3,3,4,4-Tetrafluorobutylidene)butanedioic acid
CID 53894732
2-[3,3,3-Trifluoro-2-(trifluoromethyl)propylidene]butanedioic acid
CID 53917813
2-(3,3,4,4,5,5,5-Heptafluoropentylidene)butanedioic acid
CID 54050963
2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecylidene)butanedioic acid
CID 54205132
2-(3,3,3-Trifluoropropylidene)butanedioic acid
CID 54284586
2-(3,3,4,4,5,5,6,6-Octafluorohexylidene)butanedioic acid
CID 54284640

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid (CID 91470436) is 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid is O=C(O)C1=CCC(=C(C(F)(F)F)C(F)(F)F)C=C1C(=O)O.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid?
The InChIKey is WDXZUTKKLRWZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6O4/c12-10(13,14)7(11(15,16)17)4-1-2-5(8(18)19)6(3-4)9(20)21/h2-3H,1H2,(H,18,19)(H,20,21).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid?
4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid has a molecular weight of 316.15 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-2,6-diene-1,2-dicarboxylic acid is sourced from PubChem (CID 91470436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).