O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine

C8H8ClF2NO — CID 117296930

IUPACO-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1cc(F)c(Cl)cc1F
InChIInChI=1S/C8H8ClF2NO/c9-6-4-7(10)5(1-2-13-12)3-8(6)11/h3-4H,1-2,12H2
InChIKeyVTVFAWCJBUGOAT-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.05
Rot. Bonds3

About O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine

O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine (PubChem CID 117296930) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
PubChem CID117296930
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC NameO-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1cc(F)c(Cl)cc1F
InChIInChI=1S/C8H8ClF2NO/c9-6-4-7(10)5(1-2-13-12)3-8(6)11/h3-4H,1-2,12H2
InChIKeyVTVFAWCJBUGOAT-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine (CID 117296930) is O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine is NOCCc1cc(F)c(Cl)cc1F.
What is the InChIKey of O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine?
The InChIKey is VTVFAWCJBUGOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-6-4-7(10)5(1-2-13-12)3-8(6)11/h3-4H,1-2,12H2.
What are the key properties of O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine?
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine has a molecular weight of 207.61 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117296930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).