1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid

C7H6F2O2 — CID 142642037

IUPAC1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(F)C=CC=CC1F
InChIInChI=1S/C7H6F2O2/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,(H,10,11)
InChIKeyUZXUVSOIBMQMTI-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.24
Rot. Bonds1

About 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid

1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 142642037) has the molecular formula C7H6F2O2 and a molecular weight of 160.12 g/mol. Its IUPAC name is 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid
PubChem CID142642037
Molecular FormulaC7H6F2O2
Molecular Weight160.12 g/mol
Exact Mass160.03
IUPAC Name1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(F)C=CC=CC1F
InChIInChI=1S/C7H6F2O2/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,(H,10,11)
InChIKeyUZXUVSOIBMQMTI-UHFFFAOYSA-N
XLogP1.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 12625511
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CID 21264421
CID 22242321
CID 22242321
CID 67053550
CID 67053550
CID 67202513
CID 67202513
CID 67238037
CID 67238037
CID 67355463
CID 67355463
CID 68661211
CID 68661211
CID 69553967
CID 69553967

Frequently Asked Questions

What is the IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid (CID 142642037) is 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1(F)C=CC=CC1F.
What is the InChIKey of 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is UZXUVSOIBMQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,(H,10,11).
What are the key properties of 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid?
1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 160.12 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluorocyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 142642037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).