5-fluorocyclohexa-1,5-diene-1-carboxylic acid

C7H7FO2 — CID 57080866

IUPAC5-fluorocyclohexa-1,5-diene-1-carboxylic acid
SMILESO=C(O)C1=CCCC(F)=C1
InChIInChI=1S/C7H7FO2/c8-6-3-1-2-5(4-6)7(9)10/h2,4H,1,3H2,(H,9,10)
InChIKeySNOAAMNDPHDKIB-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.64
Rot. Bonds1

About 5-fluorocyclohexa-1,5-diene-1-carboxylic acid

5-fluorocyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 57080866) has the molecular formula C7H7FO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is 5-fluorocyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name5-fluorocyclohexa-1,5-diene-1-carboxylic acid
PubChem CID57080866
Molecular FormulaC7H7FO2
Molecular Weight142.13 g/mol
Exact Mass142.04
IUPAC Name5-fluorocyclohexa-1,5-diene-1-carboxylic acid
SMILESO=C(O)C1=CCCC(F)=C1
InChIInChI=1S/C7H7FO2/c8-6-3-1-2-5(4-6)7(9)10/h2,4H,1,3H2,(H,9,10)
InChIKeySNOAAMNDPHDKIB-UHFFFAOYSA-N
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Carboxymuconic acid, cis-
CID 5280404
Cyclohexa-1,5-diene-1-carboxylic acid
CID 181650
Buta-1,3-diene-1,2,4-tricarboxylic acid
CID 399
5-Methylidenecyclopenta-1,3-diene-1-carboxylic acid
CID 53445254
1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dioxo-
CID 156602
7-Mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid
CID 11967799
1-Carboxyl-3-fluoro-3,6-cyclohexadiene
CID 138756288
(3E)-3-(2,2,2-trifluoroethylidene)cyclopenta-1,4-diene-1-carboxylic acid
CID 139242651
(3E)-3-(fluoromethylidene)cyclopenta-1,4-diene-1-carboxylic acid
CID 139242658
(5E)-5-(2,2,2-trifluoroethylidene)cyclohepta-1,3,6-triene-1-carboxylic acid
CID 139242664
(5E)-5-(fluoromethylidene)cyclohepta-1,3,6-triene-1-carboxylic acid
CID 139242671
3-Carboxymuconic acid
CID 5462170

Frequently Asked Questions

What is the IUPAC name of 5-fluorocyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 5-fluorocyclohexa-1,5-diene-1-carboxylic acid (CID 57080866) is 5-fluorocyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 5-fluorocyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 5-fluorocyclohexa-1,5-diene-1-carboxylic acid is O=C(O)C1=CCCC(F)=C1.
What is the InChIKey of 5-fluorocyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is SNOAAMNDPHDKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2/c8-6-3-1-2-5(4-6)7(9)10/h2,4H,1,3H2,(H,9,10).
What are the key properties of 5-fluorocyclohexa-1,5-diene-1-carboxylic acid?
5-fluorocyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 142.13 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 57080866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).