N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine

C11H14F3NO — CID 59115925

IUPACN-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESCc1c(C)c(NO)c(C)c(C(F)(F)F)c1C
InChIInChI=1S/C11H14F3NO/c1-5-6(2)9(11(12,13)14)8(4)10(15-16)7(5)3/h15-16H,1-4H3
InChIKeyKHXIMKLITSEZQL-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.74
Rot. Bonds1

About N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine

N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 59115925) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID59115925
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESCc1c(C)c(NO)c(C)c(C(F)(F)F)c1C
InChIInChI=1S/C11H14F3NO/c1-5-6(2)9(11(12,13)14)8(4)10(15-16)7(5)3/h15-16H,1-4H3
InChIKeyKHXIMKLITSEZQL-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine (CID 59115925) is N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine is Cc1c(C)c(NO)c(C)c(C(F)(F)F)c1C.
What is the InChIKey of N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is KHXIMKLITSEZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-5-6(2)9(11(12,13)14)8(4)10(15-16)7(5)3/h15-16H,1-4H3.
What are the key properties of N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine?
N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 233.23 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 59115925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).