N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine

C8H9ClFNO — CID 130054500

IUPACN-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
SMILESC[C@@H](NO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H9ClFNO/c1-5(11-12)6-2-3-7(9)8(10)4-6/h2-5,11-12H,1H3/t5-/m1/s1
InChIKeyQDUINEXGIJCVDD-RXMQYKEDSA-N
MW189.62 g/mol
LogP2.52
Rot. Bonds2

About N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine

N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine (PubChem CID 130054500) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
PubChem CID130054500
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC NameN-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
SMILESC[C@@H](NO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H9ClFNO/c1-5(11-12)6-2-3-7(9)8(10)4-6/h2-5,11-12H,1H3/t5-/m1/s1
InChIKeyQDUINEXGIJCVDD-RXMQYKEDSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 82888806
2-bromo-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]propanamide
CID 149125323
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115879364
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
CID 83069552
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 83069690

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine?
The IUPAC name of N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine (CID 130054500) is N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine is C[C@@H](NO)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine?
The InChIKey is QDUINEXGIJCVDD-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-5(11-12)6-2-3-7(9)8(10)4-6/h2-5,11-12H,1H3/t5-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine?
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine has a molecular weight of 189.62 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 130054500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).