O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride

C8H8ClF4NO — CID 127037839

IUPACO-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C8H7F4NO.ClH/c9-7-3-6(8(10,11)12)2-1-5(7)4-14-13;/h1-3H,4,13H2;1H
InChIKeyYOIRBEUWWQJDNU-UHFFFAOYSA-N
MW245.60 g/mol
LogP2.66
Rot. Bonds2

About O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride

O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride (PubChem CID 127037839) has the molecular formula C8H8ClF4NO and a molecular weight of 245.60 g/mol. Its IUPAC name is O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
PubChem CID127037839
Molecular FormulaC8H8ClF4NO
Molecular Weight245.60 g/mol
Exact Mass245.02
IUPAC NameO-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C8H7F4NO.ClH/c9-7-3-6(8(10,11)12)2-1-5(7)4-14-13;/h1-3H,4,13H2;1H
InChIKeyYOIRBEUWWQJDNU-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.60
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride (CID 127037839) is O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The InChIKey is YOIRBEUWWQJDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO.ClH/c9-7-3-6(8(10,11)12)2-1-5(7)4-14-13;/h1-3H,4,13H2;1H.
What are the key properties of O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride has a molecular weight of 245.60 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 127037839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).