O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine

C8H9ClFNO — CID 117281685

IUPACO-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(Cl)cc1F
InChIInChI=1S/C8H9ClFNO/c9-7-2-1-6(3-4-12-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKeyTWZNVYGSRUHGNC-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.91
Rot. Bonds3

About O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine

O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine (PubChem CID 117281685) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
PubChem CID117281685
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC NameO-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(Cl)cc1F
InChIInChI=1S/C8H9ClFNO/c9-7-2-1-6(3-4-12-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKeyTWZNVYGSRUHGNC-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.91
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-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117111465
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
CID 117296930
O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117319005
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
CID 166609586
4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
CID 117046792
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
1-(2-azidoethyl)-4-chloro-2-fluorobenzene
CID 151155603
5-chloro-2-[2-(4-chloro-2-fluorophenyl)ethyl]benzaldehyde
CID 89436970
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine (CID 117281685) is O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine is NOCCc1ccc(Cl)cc1F.
What is the InChIKey of O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine?
The InChIKey is TWZNVYGSRUHGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-7-2-1-6(3-4-12-11)8(10)5-7/h1-2,5H,3-4,11H2.
What are the key properties of O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine?
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine has a molecular weight of 189.62 g/mol, XLogP of 1.91, 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-fluorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117281685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).