N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine

C6H5F2NO — CID 173208768

IUPACN-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
SMILESON=C1C=CC(F)=CC1F
InChIInChI=1S/C6H5F2NO/c7-4-1-2-6(9-10)5(8)3-4/h1-3,5,10H
InChIKeyVBPLREMMBJNRBT-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.58
Rot. Bonds

About N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine

N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine (PubChem CID 173208768) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
PubChem CID173208768
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC NameN-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
SMILESON=C1C=CC(F)=CC1F
InChIInChI=1S/C6H5F2NO/c7-4-1-2-6(9-10)5(8)3-4/h1-3,5,10H
InChIKeyVBPLREMMBJNRBT-UHFFFAOYSA-N
XLogP1.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 51.58
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-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The IUPAC name of N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine (CID 173208768) is N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The canonical SMILES for N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine is ON=C1C=CC(F)=CC1F.
What is the InChIKey of N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The InChIKey is VBPLREMMBJNRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c7-4-1-2-6(9-10)5(8)3-4/h1-3,5,10H.
What are the key properties of N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine?
N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine has a molecular weight of 145.11 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine is sourced from PubChem (CID 173208768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).