(2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate

C13H21F2NO3 — CID 58341568

IUPAC(2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCCCC1N1CCOCC1
InChIInChI=1S/C13H21F2NO3/c1-13(14,15)12(17)19-11-5-3-2-4-10(11)16-6-8-18-9-7-16/h10-11H,2-9H2,1H3
InChIKeyAEFWPYTUNYKACU-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.83
Rot. Bonds3

About (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate

(2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate (PubChem CID 58341568) has the molecular formula C13H21F2NO3 and a molecular weight of 277.31 g/mol. Its IUPAC name is (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate
PubChem CID58341568
Molecular FormulaC13H21F2NO3
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name(2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCCCC1N1CCOCC1
InChIInChI=1S/C13H21F2NO3/c1-13(14,15)12(17)19-11-5-3-2-4-10(11)16-6-8-18-9-7-16/h10-11H,2-9H2,1H3
InChIKeyAEFWPYTUNYKACU-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate?
The IUPAC name of (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate (CID 58341568) is (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate.
What is the SMILES notation for (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate?
The canonical SMILES for (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CCCCC1N1CCOCC1.
What is the InChIKey of (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate?
The InChIKey is AEFWPYTUNYKACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO3/c1-13(14,15)12(17)19-11-5-3-2-4-10(11)16-6-8-18-9-7-16/h10-11H,2-9H2,1H3.
What are the key properties of (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate?
(2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate has a molecular weight of 277.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate is sourced from PubChem (CID 58341568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).