N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine

C11H14F3NO — CID 58113742

IUPACN-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
SMILESCC(C)(C)N(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-10(2,3)15(16)9-7-5-4-6-8(9)11(12,13)14/h4-7,16H,1-3H3
InChIKeyVZSGJXGWQDZGHH-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.70
Rot. Bonds1

About N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine

N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 58113742) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID58113742
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
SMILESCC(C)(C)N(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-10(2,3)15(16)9-7-5-4-6-8(9)11(12,13)14/h4-7,16H,1-3H3
InChIKeyVZSGJXGWQDZGHH-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.70
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

N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
CID 22251734
N-chloro-N,2-bis(trifluoromethyl)aniline
CID 88613583
phenyl-[2-(trifluoromethyl)phenyl]carbamic acid
CID 66619011
ethane;2-(trifluoromethyl)phenol
CID 142291947
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 63760135
N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline
CID 162582747
2-(trifluoromethyl)phenol
CID 162212145
2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid
CID 117013526
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)aniline
CID 107205331
N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
CID 118813099
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine (CID 58113742) is N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine is CC(C)(C)N(O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is VZSGJXGWQDZGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-10(2,3)15(16)9-7-5-4-6-8(9)11(12,13)14/h4-7,16H,1-3H3.
What are the key properties of N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine?
N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 233.23 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 58113742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).