4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine

C10H12FN3O — CID 88727680

IUPAC4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine
SMILES[N-]=[N+]=C1CC=CC(N2CCOCC2)=C1F
InChIInChI=1S/C10H12FN3O/c11-10-8(13-12)2-1-3-9(10)14-4-6-15-7-5-14/h1,3H,2,4-7H2
InChIKeyMUZHXJNQPRWOHY-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.13
Rot. Bonds1

About 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine

4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine (PubChem CID 88727680) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine
PubChem CID88727680
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine
SMILES[N-]=[N+]=C1CC=CC(N2CCOCC2)=C1F
InChIInChI=1S/C10H12FN3O/c11-10-8(13-12)2-1-3-9(10)14-4-6-15-7-5-14/h1,3H,2,4-7H2
InChIKeyMUZHXJNQPRWOHY-UHFFFAOYSA-N
XLogP1.13
TPSA48.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine?
The IUPAC name of 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine (CID 88727680) is 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine.
What is the SMILES notation for 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine?
The canonical SMILES for 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine is [N-]=[N+]=C1CC=CC(N2CCOCC2)=C1F.
What is the InChIKey of 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine?
The InChIKey is MUZHXJNQPRWOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-10-8(13-12)2-1-3-9(10)14-4-6-15-7-5-14/h1,3H,2,4-7H2.
What are the key properties of 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine?
4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine has a molecular weight of 209.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-diazo-2-fluorocyclohexa-1,5-dien-1-yl)morpholine is sourced from PubChem (CID 88727680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).