N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine

C10H12F3NO — CID 117311837

IUPACN-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine
SMILESCC(C)(F)c1cc(F)c(F)c(CNO)c1
InChIInChI=1S/C10H12F3NO/c1-10(2,13)7-3-6(5-14-15)9(12)8(11)4-7/h3-4,14-15H,5H2,1-2H3
InChIKeyUJGDUJKXTHMVQN-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.65
Rot. Bonds3

About N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine

N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine (PubChem CID 117311837) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine
PubChem CID117311837
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine
SMILESCC(C)(F)c1cc(F)c(F)c(CNO)c1
InChIInChI=1S/C10H12F3NO/c1-10(2,13)7-3-6(5-14-15)9(12)8(11)4-7/h3-4,14-15H,5H2,1-2H3
InChIKeyUJGDUJKXTHMVQN-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.65
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

[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanamine
CID 84671367
[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117462268
4-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]butan-1-amine
CID 117365180
N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
CID 84765584
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 84695519
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-2-oxoacetic acid
CID 117367150
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-amine
CID 117334212
N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
CID 117111115
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117346067
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
CID 84796697
4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride
CID 20553836

Frequently Asked Questions

What is the IUPAC name of N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine (CID 117311837) is N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine is CC(C)(F)c1cc(F)c(F)c(CNO)c1.
What is the InChIKey of N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine?
The InChIKey is UJGDUJKXTHMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-10(2,13)7-3-6(5-14-15)9(12)8(11)4-7/h3-4,14-15H,5H2,1-2H3.
What are the key properties of N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine?
N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine has a molecular weight of 219.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117311837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).