N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine

C8H9ClFNO — CID 117281709

IUPACN-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(F)c(CNO)cc1Cl
InChIInChI=1S/C8H9ClFNO/c1-5-2-8(10)6(4-11-12)3-7(5)9/h2-3,11-12H,4H2,1H3
InChIKeyWENMOJVZILUKJC-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.27
Rot. Bonds2

About N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine

N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine (PubChem CID 117281709) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
PubChem CID117281709
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC NameN-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(F)c(CNO)cc1Cl
InChIInChI=1S/C8H9ClFNO/c1-5-2-8(10)6(4-11-12)3-7(5)9/h2-3,11-12H,4H2,1H3
InChIKeyWENMOJVZILUKJC-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
CID 117281244
N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
CID 84765584
O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281696
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117346067
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
5-chloro-2-fluoro-N,4-dimethylaniline
CID 131225434
N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
CID 89366665
2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
CID 84780927

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine (CID 117281709) is N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine is Cc1cc(F)c(CNO)cc1Cl.
What is the InChIKey of N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine?
The InChIKey is WENMOJVZILUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-5-2-8(10)6(4-11-12)3-7(5)9/h2-3,11-12H,4H2,1H3.
What are the key properties of N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine?
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine has a molecular weight of 189.62 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117281709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).