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

C9H16F3NO2 — CID 59012974

IUPAC4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine
SMILESCC(OCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(9(10,11)12)15-7-4-13-2-5-14-6-3-13/h8H,2-7H2,1H3
InChIKeyNFWDNUSPOGLLEK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.29
Rot. Bonds4

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

4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine (PubChem CID 59012974) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine
PubChem CID59012974
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine
SMILESCC(OCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(9(10,11)12)15-7-4-13-2-5-14-6-3-13/h8H,2-7H2,1H3
InChIKeyNFWDNUSPOGLLEK-UHFFFAOYSA-N
XLogP1.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.29
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-trifluoropropan-2-yloxy)ethyl]morpholine?
The IUPAC name of 4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine (CID 59012974) is 4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine is CC(OCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine?
The InChIKey is NFWDNUSPOGLLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-8(9(10,11)12)15-7-4-13-2-5-14-6-3-13/h8H,2-7H2,1H3.
What are the key properties of 4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine?
4-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]morpholine has a molecular weight of 227.23 g/mol, XLogP of 1.29, 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-trifluoropropan-2-yloxy)ethyl]morpholine is sourced from PubChem (CID 59012974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).