3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine

C11H17F6NO2 — CID 102721860

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-2-4-18-7-3-5-19-6-8(7)20-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyOAFVRTNGCJMJEM-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.65
Rot. Bonds5

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

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine (PubChem CID 102721860) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine
PubChem CID102721860
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-2-4-18-7-3-5-19-6-8(7)20-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyOAFVRTNGCJMJEM-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.65
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)-N-propyloxan-4-amine?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine (CID 102721860) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine is CCCNC1CCOCC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine?
The InChIKey is OAFVRTNGCJMJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-2-4-18-7-3-5-19-6-8(7)20-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine has a molecular weight of 309.25 g/mol, XLogP of 2.65, 5 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)-N-propyloxan-4-amine is sourced from PubChem (CID 102721860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).