O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine

C10H13F2NO — CID 117289934

IUPACO-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
SMILESCC(C)c1cc(CON)c(F)cc1F
InChIInChI=1S/C10H13F2NO/c1-6(2)8-3-7(5-14-13)9(11)4-10(8)12/h3-4,6H,5,13H2,1-2H3
InChIKeyUCKAVQYHRXCULH-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.48
Rot. Bonds3

About O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine

O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine (PubChem CID 117289934) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
PubChem CID117289934
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameO-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
SMILESCC(C)c1cc(CON)c(F)cc1F
InChIInChI=1S/C10H13F2NO/c1-6(2)8-3-7(5-14-13)9(11)4-10(8)12/h3-4,6H,5,13H2,1-2H3
InChIKeyUCKAVQYHRXCULH-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
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-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327284
2-amino-3-(2,4-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359429
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117357572
O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281696
O-[(2-fluoro-5-methylphenyl)methyl]hydroxylamine
CID 83808202
1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene
CID 71055564
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
CID 117280629
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208

Frequently Asked Questions

What is the IUPAC name of O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine (CID 117289934) is O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine is CC(C)c1cc(CON)c(F)cc1F.
What is the InChIKey of O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine?
The InChIKey is UCKAVQYHRXCULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(2)8-3-7(5-14-13)9(11)4-10(8)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine?
O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine has a molecular weight of 201.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117289934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).