4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid

C10H12F2O3 — CID 154191174

IUPAC4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCC1C=C(OC(F)F)C=CC1(C)C(=O)O
InChIInChI=1S/C10H12F2O3/c1-6-5-7(15-9(11)12)3-4-10(6,2)8(13)14/h3-6,9H,1-2H3,(H,13,14)
InChIKeyDLDXLCCWMLCQIS-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.41
Rot. Bonds3

About 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid

4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 154191174) has the molecular formula C10H12F2O3 and a molecular weight of 218.20 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID154191174
Molecular FormulaC10H12F2O3
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCC1C=C(OC(F)F)C=CC1(C)C(=O)O
InChIInChI=1S/C10H12F2O3/c1-6-5-7(15-9(11)12)3-4-10(6,2)8(13)14/h3-6,9H,1-2H3,(H,13,14)
InChIKeyDLDXLCCWMLCQIS-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid (CID 154191174) is 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid is CC1C=C(OC(F)F)C=CC1(C)C(=O)O.
What is the InChIKey of 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is DLDXLCCWMLCQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3/c1-6-5-7(15-9(11)12)3-4-10(6,2)8(13)14/h3-6,9H,1-2H3,(H,13,14).
What are the key properties of 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid?
4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 218.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 154191174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).