2-amino-4-fluorocyclohexa-1,3-dien-1-ol

C6H8FNO — CID 88978454

IUPAC2-amino-4-fluorocyclohexa-1,3-dien-1-ol
SMILESNC1=C(O)CCC(F)=C1
InChIInChI=1S/C6H8FNO/c7-4-1-2-6(9)5(8)3-4/h3,9H,1-2,8H2
InChIKeyGDKCXRCRVNSFLI-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.36
Rot. Bonds

About 2-amino-4-fluorocyclohexa-1,3-dien-1-ol

2-amino-4-fluorocyclohexa-1,3-dien-1-ol (PubChem CID 88978454) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 2-amino-4-fluorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-amino-4-fluorocyclohexa-1,3-dien-1-ol
PubChem CID88978454
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name2-amino-4-fluorocyclohexa-1,3-dien-1-ol
SMILESNC1=C(O)CCC(F)=C1
InChIInChI=1S/C6H8FNO/c7-4-1-2-6(9)5(8)3-4/h3,9H,1-2,8H2
InChIKeyGDKCXRCRVNSFLI-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-4-fluorocyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-amino-4-fluorocyclohexa-1,3-dien-1-ol (CID 88978454) is 2-amino-4-fluorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-amino-4-fluorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-amino-4-fluorocyclohexa-1,3-dien-1-ol is NC1=C(O)CCC(F)=C1.
What is the InChIKey of 2-amino-4-fluorocyclohexa-1,3-dien-1-ol?
The InChIKey is GDKCXRCRVNSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c7-4-1-2-6(9)5(8)3-4/h3,9H,1-2,8H2.
What are the key properties of 2-amino-4-fluorocyclohexa-1,3-dien-1-ol?
2-amino-4-fluorocyclohexa-1,3-dien-1-ol has a molecular weight of 129.13 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 88978454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).