1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine

C11H8F15NO — CID 130427243

IUPAC1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine
SMILESFC(N(C(F)(F)F)C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C11H8F15NO/c12-5(9(18,19)20)7(14,15)3-1-2-4(28-3)8(16,17)6(13)27(10(21,22)23)11(24,25)26/h3-6H,1-2H2
InChIKeyVTTAPWLTFXQPRZ-UHFFFAOYSA-N
MW455.16 g/mol
LogP5.34
Rot. Bonds5

About 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine

1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine (PubChem CID 130427243) has the molecular formula C11H8F15NO and a molecular weight of 455.16 g/mol. Its IUPAC name is 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine.

Molecular Properties

Compound Name1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine
PubChem CID130427243
Molecular FormulaC11H8F15NO
Molecular Weight455.16 g/mol
Exact Mass455.04
IUPAC Name1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine
SMILESFC(N(C(F)(F)F)C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C11H8F15NO/c12-5(9(18,19)20)7(14,15)3-1-2-4(28-3)8(16,17)6(13)27(10(21,22)23)11(24,25)26/h3-6H,1-2H2
InChIKeyVTTAPWLTFXQPRZ-UHFFFAOYSA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.16
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine?
The IUPAC name of 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine (CID 130427243) is 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine.
What is the SMILES notation for 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine?
The canonical SMILES for 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine is FC(N(C(F)(F)F)C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1.
What is the InChIKey of 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine?
The InChIKey is VTTAPWLTFXQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F15NO/c12-5(9(18,19)20)7(14,15)3-1-2-4(28-3)8(16,17)6(13)27(10(21,22)23)11(24,25)26/h3-6H,1-2H2.
What are the key properties of 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine?
1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine has a molecular weight of 455.16 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine is sourced from PubChem (CID 130427243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).