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

C10H6F6O2 — CID 87354564

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=CCC1=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F6O2/c11-9(12,13)7(10(14,15)16)5-3-1-2-4-6(5)8(17)18/h1-2,4H,3H2,(H,17,18)
InChIKeyHQJRQLCVUWSTHZ-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.38
Rot. Bonds1

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

6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 87354564) has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid
PubChem CID87354564
Molecular FormulaC10H6F6O2
Molecular Weight272.14 g/mol
Exact Mass272.03
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=CCC1=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F6O2/c11-9(12,13)7(10(14,15)16)5-3-1-2-4-6(5)8(17)18/h1-2,4H,3H2,(H,17,18)
InChIKeyHQJRQLCVUWSTHZ-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid (CID 87354564) is 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid is O=C(O)C1=CC=CCC1=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is HQJRQLCVUWSTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2/c11-9(12,13)7(10(14,15)16)5-3-1-2-4-6(5)8(17)18/h1-2,4H,3H2,(H,17,18).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid?
6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 272.14 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 87354564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).