O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine

C4H2F9NO — CID 138604570

IUPACO-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine
SMILESNOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F9NO/c5-2(6,7)1(15-14,3(8,9)10)4(11,12)13/h14H2
InChIKeyPDRWSXSRHOGFSP-UHFFFAOYSA-N
MW251.05 g/mol
LogP2.30
Rot. Bonds1

About O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine

O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine (PubChem CID 138604570) has the molecular formula C4H2F9NO and a molecular weight of 251.05 g/mol. Its IUPAC name is O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine
PubChem CID138604570
Molecular FormulaC4H2F9NO
Molecular Weight251.05 g/mol
Exact Mass251.00
IUPAC NameO-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine
SMILESNOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F9NO/c5-2(6,7)1(15-14,3(8,9)10)4(11,12)13/h14H2
InChIKeyPDRWSXSRHOGFSP-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.05
LogP ≤ 52.30
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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine?
The IUPAC name of O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine (CID 138604570) is O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine.
What is the SMILES notation for O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine?
The canonical SMILES for O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine is NOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine?
The InChIKey is PDRWSXSRHOGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO/c5-2(6,7)1(15-14,3(8,9)10)4(11,12)13/h14H2.
What are the key properties of O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine?
O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine has a molecular weight of 251.05 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine is sourced from PubChem (CID 138604570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).