2-morpholin-4-ylethyl 2,2-difluoroacetate

C8H13F2NO3 — CID 58855427

IUPAC2-morpholin-4-ylethyl 2,2-difluoroacetate
SMILESO=C(OCCN1CCOCC1)C(F)F
InChIInChI=1S/C8H13F2NO3/c9-7(10)8(12)14-6-3-11-1-4-13-5-2-11/h7H,1-6H2
InChIKeyWNLDERWMQYRJGG-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.13
Rot. Bonds4

About 2-morpholin-4-ylethyl 2,2-difluoroacetate

2-morpholin-4-ylethyl 2,2-difluoroacetate (PubChem CID 58855427) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2-difluoroacetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2-difluoroacetate
PubChem CID58855427
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2-morpholin-4-ylethyl 2,2-difluoroacetate
SMILESO=C(OCCN1CCOCC1)C(F)F
InChIInChI=1S/C8H13F2NO3/c9-7(10)8(12)14-6-3-11-1-4-13-5-2-11/h7H,1-6H2
InChIKeyWNLDERWMQYRJGG-UHFFFAOYSA-N
XLogP0.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2-difluoroacetate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2-difluoroacetate (CID 58855427) is 2-morpholin-4-ylethyl 2,2-difluoroacetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2-difluoroacetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2-difluoroacetate is O=C(OCCN1CCOCC1)C(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2-difluoroacetate?
The InChIKey is WNLDERWMQYRJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-7(10)8(12)14-6-3-11-1-4-13-5-2-11/h7H,1-6H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2-difluoroacetate?
2-morpholin-4-ylethyl 2,2-difluoroacetate has a molecular weight of 209.19 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2,2-difluoroacetate is sourced from PubChem (CID 58855427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).