O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine

C8H9F2NO — CID 117276972

IUPACO-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C(F)F)cc1
InChIInChI=1S/C8H9F2NO/c9-8(10)7-3-1-6(2-4-7)5-12-11/h1-4,8H,5,11H2
InChIKeyHDOUXEHCMCOJSD-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.01
Rot. Bonds3

About O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine

O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117276972) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117276972
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameO-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C(F)F)cc1
InChIInChI=1S/C8H9F2NO/c9-8(10)7-3-1-6(2-4-7)5-12-11/h1-4,8H,5,11H2
InChIKeyHDOUXEHCMCOJSD-UHFFFAOYSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.01
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

O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
CID 117276742
bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium
CID 175430868
[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium
CID 175430869
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
CID 117280118
2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
CID 115524491
2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
CID 82707188
5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine
CID 171814189

Frequently Asked Questions

What is the IUPAC name of O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine (CID 117276972) is O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine is NOCc1ccc(C(F)F)cc1.
What is the InChIKey of O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is HDOUXEHCMCOJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-8(10)7-3-1-6(2-4-7)5-12-11/h1-4,8H,5,11H2.
What are the key properties of O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine?
O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 173.16 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117276972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).