O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine

C8H5F6NO — CID 88700648

IUPACO-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
SMILESNOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H5F6NO/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3H,15H2
InChIKeyAQDRWJSTORCZMK-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.98
Rot. Bonds1

About O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine

O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 88700648) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
PubChem CID88700648
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC NameO-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
SMILESNOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H5F6NO/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3H,15H2
InChIKeyAQDRWJSTORCZMK-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.98
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

O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine
CID 162421856
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644
[3,5-bis(trifluoromethyl)phenyl] 2-methylpropanoate
CID 87431527
lithium;[3,5-bis(trifluoromethyl)phenoxy]boronic acid;hydride
CID 174626926
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene
CID 162498721
CID 151907169
CID 151907169
2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
CID 13242436
2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117111932
3-[2-[3-amino-5-(trifluoromethyl)phenyl]-1,1,2,2-tetrafluoroethyl]-5-(trifluoromethyl)aniline
CID 23368887
CID 87457276
CID 87457276
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405

Frequently Asked Questions

What is the IUPAC name of O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine (CID 88700648) is O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine is NOc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is AQDRWJSTORCZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3H,15H2.
What are the key properties of O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine?
O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 245.12 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 88700648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).