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

C9H13F6NO2 — CID 102721866

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine
SMILESCNC1CCOCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-16-5-2-3-17-4-6(5)18-7(8(10,11)12)9(13,14)15/h5-7,16H,2-4H2,1H3
InChIKeyDBIQMMKSPCVAHZ-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.87
Rot. Bonds3

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

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine (PubChem CID 102721866) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine
PubChem CID102721866
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine
SMILESCNC1CCOCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-16-5-2-3-17-4-6(5)18-7(8(10,11)12)9(13,14)15/h5-7,16H,2-4H2,1H3
InChIKeyDBIQMMKSPCVAHZ-UHFFFAOYSA-N
XLogP1.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.87
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-methyloxan-4-amine?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine (CID 102721866) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine is CNC1CCOCC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine?
The InChIKey is DBIQMMKSPCVAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c1-16-5-2-3-17-4-6(5)18-7(8(10,11)12)9(13,14)15/h5-7,16H,2-4H2,1H3.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine has a molecular weight of 281.20 g/mol, XLogP of 1.87, 3 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-methyloxan-4-amine is sourced from PubChem (CID 102721866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).