N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride

C7H7ClFNO — CID 174826534

IUPACN-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
SMILESCl.ON=Cc1ccccc1F
InChIInChI=1S/C7H6FNO.ClH/c8-7-4-2-1-3-6(7)5-9-10;/h1-5,10H;1H
InChIKeyRTZHXTSSAHTXGU-UHFFFAOYSA-N
MW175.59 g/mol
LogP2.06
Rot. Bonds1

About N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride

N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride (PubChem CID 174826534) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
PubChem CID174826534
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC NameN-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
SMILESCl.ON=Cc1ccccc1F
InChIInChI=1S/C7H6FNO.ClH/c8-7-4-2-1-3-6(7)5-9-10;/h1-5,10H;1H
InChIKeyRTZHXTSSAHTXGU-UHFFFAOYSA-N
XLogP2.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 52.06
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

N-[(2-chloro-3-fluorophenyl)methylidene]hydroxylamine
CID 142646224
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 15057456
(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
CID 22226003
N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 53395027
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
N-[(2-bromophenyl)methylidene]hydroxylamine
CID 736214
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
CID 89241470
CID 89241470

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride (CID 174826534) is N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride is Cl.ON=Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride?
The InChIKey is RTZHXTSSAHTXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO.ClH/c8-7-4-2-1-3-6(7)5-9-10;/h1-5,10H;1H.
What are the key properties of N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride?
N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride has a molecular weight of 175.59 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 174826534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).