O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine

C14H12F3NO — CID 164946859

IUPACO-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
SMILESNOCc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-19-18/h1-8H,9,18H2
InChIKeyMEYGWKXBLNVWIP-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.76
Rot. Bonds3

About O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine

O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine (PubChem CID 164946859) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
PubChem CID164946859
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameO-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
SMILESNOCc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-19-18/h1-8H,9,18H2
InChIKeyMEYGWKXBLNVWIP-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine (CID 164946859) is O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine is NOCc1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine?
The InChIKey is MEYGWKXBLNVWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-19-18/h1-8H,9,18H2.
What are the key properties of O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine?
O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine has a molecular weight of 267.25 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 164946859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).