3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine

C8H11F6NO2 — CID 102721958

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine
SMILESNC1CCOCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c9-7(10,11)6(8(12,13)14)17-5-3-16-2-1-4(5)15/h4-6H,1-3,15H2
InChIKeyXWIHFXMITBMBAI-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.61
Rot. Bonds2

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine (PubChem CID 102721958) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine
PubChem CID102721958
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine
SMILESNC1CCOCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c9-7(10,11)6(8(12,13)14)17-5-3-16-2-1-4(5)15/h4-6H,1-3,15H2
InChIKeyXWIHFXMITBMBAI-UHFFFAOYSA-N
XLogP1.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine (CID 102721958) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine is NC1CCOCC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine?
The InChIKey is XWIHFXMITBMBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c9-7(10,11)6(8(12,13)14)17-5-3-16-2-1-4(5)15/h4-6H,1-3,15H2.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine has a molecular weight of 267.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)oxan-4-amine is sourced from PubChem (CID 102721958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).