N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine

C9H11ClFNO2 — CID 117313592

IUPACN-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
SMILESCOCc1c(F)cc(CNO)cc1Cl
InChIInChI=1S/C9H11ClFNO2/c1-14-5-7-8(10)2-6(4-12-13)3-9(7)11/h2-3,12-13H,4-5H2,1H3
InChIKeyMTSGFVCMDPBEKX-UHFFFAOYSA-N
MW219.64 g/mol
LogP2.10
Rot. Bonds4

About N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine

N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine (PubChem CID 117313592) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
PubChem CID117313592
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC NameN-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
SMILESCOCc1c(F)cc(CNO)cc1Cl
InChIInChI=1S/C9H11ClFNO2/c1-14-5-7-8(10)2-6(4-12-13)3-9(7)11/h2-3,12-13H,4-5H2,1H3
InChIKeyMTSGFVCMDPBEKX-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337279
2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
CID 117339623
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117374799
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406
[2,6-difluoro-4-(methoxymethyl)phenyl]methanol
CID 130130923
N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
CID 117389561
3-amino-3-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propanoic acid
CID 117408979
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol
CID 117318845
2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117434415
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine (CID 117313592) is N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine is COCc1c(F)cc(CNO)cc1Cl.
What is the InChIKey of N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine?
The InChIKey is MTSGFVCMDPBEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-14-5-7-8(10)2-6(4-12-13)3-9(7)11/h2-3,12-13H,4-5H2,1H3.
What are the key properties of N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine?
N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine has a molecular weight of 219.64 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117313592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).