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

C12H19F2NO3 — CID 88886128

IUPAC(2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate
SMILESO=C(OC1CCCCC1N1CCOCC1)C(F)F
InChIInChI=1S/C12H19F2NO3/c13-11(14)12(16)18-10-4-2-1-3-9(10)15-5-7-17-8-6-15/h9-11H,1-8H2
InChIKeyKTDSAFJFXCJQLF-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.44
Rot. Bonds3

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

(2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate (PubChem CID 88886128) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is (2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate.

Molecular Properties

Compound Name(2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate
PubChem CID88886128
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name(2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate
SMILESO=C(OC1CCCCC1N1CCOCC1)C(F)F
InChIInChI=1S/C12H19F2NO3/c13-11(14)12(16)18-10-4-2-1-3-9(10)15-5-7-17-8-6-15/h9-11H,1-8H2
InChIKeyKTDSAFJFXCJQLF-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.44
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-difluoroacetate?
The IUPAC name of (2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate (CID 88886128) is (2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate.
What is the SMILES notation for (2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate?
The canonical SMILES for (2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate is O=C(OC1CCCCC1N1CCOCC1)C(F)F.
What is the InChIKey of (2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate?
The InChIKey is KTDSAFJFXCJQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c13-11(14)12(16)18-10-4-2-1-3-9(10)15-5-7-17-8-6-15/h9-11H,1-8H2.
What are the key properties of (2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate?
(2-morpholin-4-ylcyclohexyl) 2,2-difluoroacetate has a molecular weight of 263.28 g/mol, XLogP of 1.44, 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-difluoroacetate is sourced from PubChem (CID 88886128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).