N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine

C6H6FNO — CID 173208879

IUPACN-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
SMILESON=C1CC=CC=C1F
InChIInChI=1S/C6H6FNO/c7-5-3-1-2-4-6(5)8-9/h1-3,9H,4H2
InChIKeyYCHRGUJBTMTBEQ-UHFFFAOYSA-N
MW127.12 g/mol
LogP1.63
Rot. Bonds

About N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine

N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine (PubChem CID 173208879) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
PubChem CID173208879
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC NameN-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
SMILESON=C1CC=CC=C1F
InChIInChI=1S/C6H6FNO/c7-5-3-1-2-4-6(5)8-9/h1-3,9H,4H2
InChIKeyYCHRGUJBTMTBEQ-UHFFFAOYSA-N
XLogP1.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The IUPAC name of N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine (CID 173208879) is N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The canonical SMILES for N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine is ON=C1CC=CC=C1F.
What is the InChIKey of N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The InChIKey is YCHRGUJBTMTBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-5-3-1-2-4-6(5)8-9/h1-3,9H,4H2.
What are the key properties of N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine?
N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine has a molecular weight of 127.12 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine is sourced from PubChem (CID 173208879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).