4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine

C9H13F6NO2 — CID 59013014

IUPAC4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine
SMILESFC(F)(F)C(OCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c10-8(11,12)7(9(13,14)15)18-6-3-16-1-4-17-5-2-16/h7H,1-6H2
InChIKeyIYSFBPSRCOQCQA-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.83
Rot. Bonds4

About 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine

4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine (PubChem CID 59013014) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine
PubChem CID59013014
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC Name4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine
SMILESFC(F)(F)C(OCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c10-8(11,12)7(9(13,14)15)18-6-3-16-1-4-17-5-2-16/h7H,1-6H2
InChIKeyIYSFBPSRCOQCQA-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine?
The IUPAC name of 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine (CID 59013014) is 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine is FC(F)(F)C(OCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine?
The InChIKey is IYSFBPSRCOQCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c10-8(11,12)7(9(13,14)15)18-6-3-16-1-4-17-5-2-16/h7H,1-6H2.
What are the key properties of 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine?
4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine has a molecular weight of 281.20 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]morpholine is sourced from PubChem (CID 59013014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).