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

C8H9ClFNO — CID 84771311

IUPACN-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Cl)c(F)cc1CNO
InChIInChI=1S/C8H9ClFNO/c1-5-2-7(9)8(10)3-6(5)4-11-12/h2-3,11-12H,4H2,1H3
InChIKeyZMJVHKCPPALCMZ-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.27
Rot. Bonds2

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

N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine (PubChem CID 84771311) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
PubChem CID84771311
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC NameN-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Cl)c(F)cc1CNO
InChIInChI=1S/C8H9ClFNO/c1-5-2-7(9)8(10)3-6(5)4-11-12/h2-3,11-12H,4H2,1H3
InChIKeyZMJVHKCPPALCMZ-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-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
CID 84765584
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281709
1-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
1-chloro-4-(chloromethyl)-2-fluoro-5-methylbenzene
CID 131117181
1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene
CID 130777933
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84777598
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083
(2-chloro-5-fluoro-4-methylphenyl)methylhydrazine
CID 116932376
2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
CID 84780927

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine (CID 84771311) is N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine is Cc1cc(Cl)c(F)cc1CNO.
What is the InChIKey of N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is ZMJVHKCPPALCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-5-2-7(9)8(10)3-6(5)4-11-12/h2-3,11-12H,4H2,1H3.
What are the key properties of N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine?
N-[(4-chloro-5-fluoro-2-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-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 84771311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).