2-morpholin-4-ylethyl 2,2-difluoropropanoate

C9H15F2NO3 — CID 58341558

IUPAC2-morpholin-4-ylethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCN1CCOCC1
InChIInChI=1S/C9H15F2NO3/c1-9(10,11)8(13)15-7-4-12-2-5-14-6-3-12/h2-7H2,1H3
InChIKeyDQIPJXZMFIBFLY-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.52
Rot. Bonds4

About 2-morpholin-4-ylethyl 2,2-difluoropropanoate

2-morpholin-4-ylethyl 2,2-difluoropropanoate (PubChem CID 58341558) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2-difluoropropanoate
PubChem CID58341558
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name2-morpholin-4-ylethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCN1CCOCC1
InChIInChI=1S/C9H15F2NO3/c1-9(10,11)8(13)15-7-4-12-2-5-14-6-3-12/h2-7H2,1H3
InChIKeyDQIPJXZMFIBFLY-UHFFFAOYSA-N
XLogP0.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91698990
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CID 17857588
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CID 21271055
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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2-difluoropropanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2-difluoropropanoate (CID 58341558) is 2-morpholin-4-ylethyl 2,2-difluoropropanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2-difluoropropanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2-difluoropropanoate?
The InChIKey is DQIPJXZMFIBFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-9(10,11)8(13)15-7-4-12-2-5-14-6-3-12/h2-7H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 2,2-difluoropropanoate?
2-morpholin-4-ylethyl 2,2-difluoropropanoate has a molecular weight of 223.22 g/mol, XLogP of 0.52, 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-difluoropropanoate is sourced from PubChem (CID 58341558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).