N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine

C10H13F2NO — CID 117289946

IUPACN-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine
SMILESCc1ccc(C(C)(F)F)c(CNO)c1
InChIInChI=1S/C10H13F2NO/c1-7-3-4-9(10(2,11)12)8(5-7)6-13-14/h3-5,13-14H,6H2,1-2H3
InChIKeyBHSSNQDQXFVDFS-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.59
Rot. Bonds3

About N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine

N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine (PubChem CID 117289946) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine
PubChem CID117289946
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine
SMILESCc1ccc(C(C)(F)F)c(CNO)c1
InChIInChI=1S/C10H13F2NO/c1-7-3-4-9(10(2,11)12)8(5-7)6-13-14/h3-5,13-14H,6H2,1-2H3
InChIKeyBHSSNQDQXFVDFS-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.59
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

1-[2-(1,1-difluoroethyl)-5-methylphenyl]propan-2-one
CID 84679044
3-[2-(1,1-difluoroethyl)-5-methylphenyl]propan-1-amine
CID 117304320
N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117369713
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol
CID 84669441
2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 144773818
N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83698847

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine (CID 117289946) is N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine is Cc1ccc(C(C)(F)F)c(CNO)c1.
What is the InChIKey of N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine?
The InChIKey is BHSSNQDQXFVDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7-3-4-9(10(2,11)12)8(5-7)6-13-14/h3-5,13-14H,6H2,1-2H3.
What are the key properties of N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine?
N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine has a molecular weight of 201.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117289946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).