1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid

C7H8FNO2 — CID 67805788

IUPAC1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid
SMILESNC1(C(=O)O)C=CC=CC1F
InChIInChI=1S/C7H8FNO2/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,9H2,(H,10,11)
InChIKeyFYDLQNMOOXXDAM-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.23
Rot. Bonds1

About 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid

1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 67805788) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid
PubChem CID67805788
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid
SMILESNC1(C(=O)O)C=CC=CC1F
InChIInChI=1S/C7H8FNO2/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,9H2,(H,10,11)
InChIKeyFYDLQNMOOXXDAM-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid (CID 67805788) is 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid is NC1(C(=O)O)C=CC=CC1F.
What is the InChIKey of 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is FYDLQNMOOXXDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,9H2,(H,10,11).
What are the key properties of 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid?
1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 157.14 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-fluorocyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 67805788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).