1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine

C12H10F15NO — CID 130427266

IUPAC1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine
SMILESFC(N(C(F)(F)F)C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C12H10F15NO/c13-6(10(19,20)21)8(15,16)4-2-1-3-5(29-4)9(17,18)7(14)28(11(22,23)24)12(25,26)27/h4-7H,1-3H2
InChIKeyGXQUKHUGRYAIJN-UHFFFAOYSA-N
MW469.19 g/mol
LogP5.73
Rot. Bonds5

About 1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine

1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine (PubChem CID 130427266) has the molecular formula C12H10F15NO and a molecular weight of 469.19 g/mol. Its IUPAC name is 1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine.

Molecular Properties

Compound Name1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine
PubChem CID130427266
Molecular FormulaC12H10F15NO
Molecular Weight469.19 g/mol
Exact Mass469.05
IUPAC Name1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine
SMILESFC(N(C(F)(F)F)C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C12H10F15NO/c13-6(10(19,20)21)8(15,16)4-2-1-3-5(29-4)9(17,18)7(14)28(11(22,23)24)12(25,26)27/h4-7H,1-3H2
InChIKeyGXQUKHUGRYAIJN-UHFFFAOYSA-N
XLogP5.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.19
LogP ≤ 55.73
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-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine?
The IUPAC name of 1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine (CID 130427266) is 1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine.
What is the SMILES notation for 1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine?
The canonical SMILES for 1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine is FC(N(C(F)(F)F)C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.
What is the InChIKey of 1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine?
The InChIKey is GXQUKHUGRYAIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F15NO/c13-6(10(19,20)21)8(15,16)4-2-1-3-5(29-4)9(17,18)7(14)28(11(22,23)24)12(25,26)27/h4-7H,1-3H2.
What are the key properties of 1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine?
1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine has a molecular weight of 469.19 g/mol, XLogP of 5.73, 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-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]-N,N-bis(trifluoromethyl)ethanamine is sourced from PubChem (CID 130427266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).