1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate

C10H16F3NO3 — CID 59013017

IUPAC1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate
SMILESCC(OC(=O)CCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-8(10(11,12)13)17-9(15)2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3
InChIKeyXGGMHOFVZPISMK-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.20
Rot. Bonds4

About 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate

1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate (PubChem CID 59013017) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate
PubChem CID59013017
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate
SMILESCC(OC(=O)CCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-8(10(11,12)13)17-9(15)2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3
InChIKeyXGGMHOFVZPISMK-UHFFFAOYSA-N
XLogP1.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate (CID 59013017) is 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate is CC(OC(=O)CCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The InChIKey is XGGMHOFVZPISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-8(10(11,12)13)17-9(15)2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate?
1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate has a molecular weight of 255.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 59013017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).