6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid

C7H8FNO2 — CID 118190062

IUPAC6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid
SMILESNC1=CCCC(F)=C1C(=O)O
InChIInChI=1S/C7H8FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h3H,1-2,9H2,(H,10,11)
InChIKeySVGHTJZPCIISPP-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.93
Rot. Bonds1

About 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid

6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 118190062) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid
PubChem CID118190062
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid
SMILESNC1=CCCC(F)=C1C(=O)O
InChIInChI=1S/C7H8FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h3H,1-2,9H2,(H,10,11)
InChIKeySVGHTJZPCIISPP-UHFFFAOYSA-N
XLogP0.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-4-fluorocyclohexa-1,5-diene-1-carboxylic acid
CID 67910517
6-Amino-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 90326916
(Z)-2-[(E)-1-aminoprop-1-enyl]-3-fluoropent-2-enoic acid
CID 118190049
(2E,4Z)-2-[(Z)-1-amino-2-fluoroethenyl]-3-methylhexa-2,4-dienoic acid
CID 135190409
6-Amino-3-fluorocyclohexa-1,5-diene-1-carboxylic acid
CID 139418711
6-Amino-3-fluoro-4-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 139418715
7-Amino-4-fluorocyclohepta-1,4,6-triene-1-carboxylic acid
CID 156547400
(2E,4E)-2-[(E)-1-aminoprop-1-enyl]-6,6,6-trifluoro-5-methylhexa-2,4-dienoic acid
CID 163922780
6-Amino-2-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid
CID 170211423
(5s,6s)-6-Amino-5-hydroxy-cyclohexa-1,5-dienecarboxylic acid
CID 132279992
6-Amino-4-oxocyclohexa-1,5-diene-1-carboxylic acid
CID 18314392
6-Amino-3-oxocyclohexa-1,5-diene-1-carboxylic acid
CID 20512354

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid (CID 118190062) is 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid is NC1=CCCC(F)=C1C(=O)O.
What is the InChIKey of 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is SVGHTJZPCIISPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h3H,1-2,9H2,(H,10,11).
What are the key properties of 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid?
6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 157.14 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 118190062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).