4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol

C6H9FN2O — CID 70151927

IUPAC4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol
SMILESNC1(N)C=CC(O)=CC1F
InChIInChI=1S/C6H9FN2O/c7-5-3-4(10)1-2-6(5,8)9/h1-3,5,10H,8-9H2
InChIKeyCEHRACBBBSYQEO-UHFFFAOYSA-N
MW144.15 g/mol
LogP-0.05
Rot. Bonds

About 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol

4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol (PubChem CID 70151927) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol
PubChem CID70151927
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol
SMILESNC1(N)C=CC(O)=CC1F
InChIInChI=1S/C6H9FN2O/c7-5-3-4(10)1-2-6(5,8)9/h1-3,5,10H,8-9H2
InChIKeyCEHRACBBBSYQEO-UHFFFAOYSA-N
XLogP-0.05
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol?
The IUPAC name of 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol (CID 70151927) is 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol is NC1(N)C=CC(O)=CC1F.
What is the InChIKey of 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol?
The InChIKey is CEHRACBBBSYQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c7-5-3-4(10)1-2-6(5,8)9/h1-3,5,10H,8-9H2.
What are the key properties of 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol?
4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol has a molecular weight of 144.15 g/mol, XLogP of -0.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diamino-3-fluorocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70151927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).