1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate

C9H11F6NO3 — CID 59012975

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO3/c10-8(11,12)7(9(13,14)15)19-6(17)5-16-1-3-18-4-2-16/h7H,1-5H2
InChIKeyVGUIOGDZSZEGJD-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.36
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate

1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate (PubChem CID 59012975) has the molecular formula C9H11F6NO3 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate
PubChem CID59012975
Molecular FormulaC9H11F6NO3
Molecular Weight295.18 g/mol
Exact Mass295.06
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO3/c10-8(11,12)7(9(13,14)15)19-6(17)5-16-1-3-18-4-2-16/h7H,1-5H2
InChIKeyVGUIOGDZSZEGJD-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate (CID 59012975) is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate?
The InChIKey is VGUIOGDZSZEGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO3/c10-8(11,12)7(9(13,14)15)19-6(17)5-16-1-3-18-4-2-16/h7H,1-5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate?
1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate has a molecular weight of 295.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-morpholin-4-ylacetate is sourced from PubChem (CID 59012975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).