fluorobenzene;N-propan-2-ylidenehydroxylamine

C9H12FNO — CID 174410539

IUPACfluorobenzene;N-propan-2-ylidenehydroxylamine
SMILESCC(C)=NO.Fc1ccccc1
InChIInChI=1S/C6H5F.C3H7NO/c7-6-4-2-1-3-5-6;1-3(2)4-5/h1-5H;5H,1-2H3
InChIKeyIMNONMOFKGYMNT-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.68
Rot. Bonds

About fluorobenzene;N-propan-2-ylidenehydroxylamine

fluorobenzene;N-propan-2-ylidenehydroxylamine (PubChem CID 174410539) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is fluorobenzene;N-propan-2-ylidenehydroxylamine.

Molecular Properties

Compound Namefluorobenzene;N-propan-2-ylidenehydroxylamine
PubChem CID174410539
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Namefluorobenzene;N-propan-2-ylidenehydroxylamine
SMILESCC(C)=NO.Fc1ccccc1
InChIInChI=1S/C6H5F.C3H7NO/c7-6-4-2-1-3-5-6;1-3(2)4-5/h1-5H;5H,1-2H3
InChIKeyIMNONMOFKGYMNT-UHFFFAOYSA-N
XLogP2.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.68
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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Related Compounds

fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
fluorobenzene fluoride
CID 139243602
cobalt;fluorobenzene
CID 139244086
fluorobenzene;nickel
CID 175250202
magnesium;fluorobenzene;hydride;hydrobromide
CID 173034545
fluorobenzene;fluoroform
CID 158907062
fluorobenzene;prop-1-ene
CID 18357463
acetonitrile;fluorobenzene
CID 161293725
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
CID 174820593
fluorobenzene;hexane
CID 158112243
2-ethylguanidine;fluorobenzene;hydrochloride
CID 175305012
fluorobenzene;propanoyl chloride
CID 161139565

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;N-propan-2-ylidenehydroxylamine?
The IUPAC name of fluorobenzene;N-propan-2-ylidenehydroxylamine (CID 174410539) is fluorobenzene;N-propan-2-ylidenehydroxylamine.
What is the SMILES notation for fluorobenzene;N-propan-2-ylidenehydroxylamine?
The canonical SMILES for fluorobenzene;N-propan-2-ylidenehydroxylamine is CC(C)=NO.Fc1ccccc1.
What is the InChIKey of fluorobenzene;N-propan-2-ylidenehydroxylamine?
The InChIKey is IMNONMOFKGYMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C3H7NO/c7-6-4-2-1-3-5-6;1-3(2)4-5/h1-5H;5H,1-2H3.
What are the key properties of fluorobenzene;N-propan-2-ylidenehydroxylamine?
fluorobenzene;N-propan-2-ylidenehydroxylamine has a molecular weight of 169.20 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;N-propan-2-ylidenehydroxylamine is sourced from PubChem (CID 174410539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).