O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride

C13H12ClF2NO — CID 22989786

IUPACO-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H11F2NO.ClH/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10;/h1-8,13H,16H2;1H
InChIKeyJCKSWNFJWVXHBU-UHFFFAOYSA-N
MW271.69 g/mol
LogP3.37
Rot. Bonds3

About O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride

O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 22989786) has the molecular formula C13H12ClF2NO and a molecular weight of 271.69 g/mol. Its IUPAC name is O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID22989786
Molecular FormulaC13H12ClF2NO
Molecular Weight271.69 g/mol
Exact Mass271.06
IUPAC NameO-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H11F2NO.ClH/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10;/h1-8,13H,16H2;1H
InChIKeyJCKSWNFJWVXHBU-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
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bis(4-fluorophenyl)methanamine
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(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
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O-[bis(4-fluorophenyl)methyl] ethanethioate
CID 175992582
1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
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bis(4-fluorophenyl)methylsilane
CID 71348038
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine
CID 21187771
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
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(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887

Frequently Asked Questions

What is the IUPAC name of O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride (CID 22989786) is O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride is Cl.NOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is JCKSWNFJWVXHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO.ClH/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10;/h1-8,13H,16H2;1H.
What are the key properties of O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride?
O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 271.69 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 22989786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).