O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine

C9H10ClF2NO — CID 117317246

IUPACO-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1cc(C(F)F)ccc1Cl
InChIInChI=1S/C9H10ClF2NO/c10-8-2-1-7(9(11)12)5-6(8)3-4-14-13/h1-2,5,9H,3-4,13H2
InChIKeyUXFWRXCDRWCCLO-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.71
Rot. Bonds4

About O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine

O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117317246) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID117317246
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC NameO-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1cc(C(F)F)ccc1Cl
InChIInChI=1S/C9H10ClF2NO/c10-8-2-1-7(9(11)12)5-6(8)3-4-14-13/h1-2,5,9H,3-4,13H2
InChIKeyUXFWRXCDRWCCLO-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.71
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-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84673745
O-[2-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethyl]hydroxylamine
CID 117364283
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
CID 117296930
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine
CID 117326465
3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol
CID 117315030
O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117111465
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923
O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine
CID 117296938
2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
CID 117313656
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
CID 84674717
O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine
CID 117276972

Frequently Asked Questions

What is the IUPAC name of O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine (CID 117317246) is O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine is NOCCc1cc(C(F)F)ccc1Cl.
What is the InChIKey of O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is UXFWRXCDRWCCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c10-8-2-1-7(9(11)12)5-6(8)3-4-14-13/h1-2,5,9H,3-4,13H2.
What are the key properties of O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine?
O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 221.63 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117317246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).