O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine

C8H8ClF2NO — CID 117296938

IUPACO-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1cccc(Cl)c1C(F)F
InChIInChI=1S/C8H8ClF2NO/c9-6-3-1-2-5(4-13-12)7(6)8(10)11/h1-3,8H,4,12H2
InChIKeyCQGWXROOPFYCTE-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.67
Rot. Bonds3

About O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine

O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117296938) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117296938
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC NameO-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1cccc(Cl)c1C(F)F
InChIInChI=1S/C8H8ClF2NO/c9-6-3-1-2-5(4-13-12)7(6)8(10)11/h1-3,8H,4,12H2
InChIKeyCQGWXROOPFYCTE-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.67
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

2-(aminooxymethyl)-6-chlorophenol
CID 117277054
O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine
CID 117276900
ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
CID 117416044
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555
O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
CID 117293315
O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117197472
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
3-[3-chloro-2-(1-fluoroethyl)phenyl]propanal
CID 117305936
O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313419
O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine
CID 58419548
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588

Frequently Asked Questions

What is the IUPAC name of O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine (CID 117296938) is O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine is NOCc1cccc(Cl)c1C(F)F.
What is the InChIKey of O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is CQGWXROOPFYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-6-3-1-2-5(4-13-12)7(6)8(10)11/h1-3,8H,4,12H2.
What are the key properties of O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine?
O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 207.61 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117296938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).