morpholin-4-ylmethyl 2,2-difluoropropanoate

C8H13F2NO3 — CID 58341547

IUPACmorpholin-4-ylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCN1CCOCC1
InChIInChI=1S/C8H13F2NO3/c1-8(9,10)7(12)14-6-11-2-4-13-5-3-11/h2-6H2,1H3
InChIKeyUUPNAFNBCPCASU-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.47
Rot. Bonds3

About morpholin-4-ylmethyl 2,2-difluoropropanoate

morpholin-4-ylmethyl 2,2-difluoropropanoate (PubChem CID 58341547) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is morpholin-4-ylmethyl 2,2-difluoropropanoate.

Molecular Properties

Compound Namemorpholin-4-ylmethyl 2,2-difluoropropanoate
PubChem CID58341547
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Namemorpholin-4-ylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCN1CCOCC1
InChIInChI=1S/C8H13F2NO3/c1-8(9,10)7(12)14-6-11-2-4-13-5-3-11/h2-6H2,1H3
InChIKeyUUPNAFNBCPCASU-UHFFFAOYSA-N
XLogP0.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
2-(Diethylamino)ethyl 2,2,2-trifluoroacetate
CID 59204074
(Ethylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91738534
2-(Diethylamino)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91698990
4-Methylmorpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 17843040
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
2-Piperidin-1-ylethyl 2,2,2-trifluoroacetate
CID 17857660
4-Methylmorpholine;2,2,2-trifluoroacetic acid
CID 21271055
2,2-Difluoropropyl 2-morpholin-4-ylacetate
CID 58341548
4-(2,2-Difluoropropoxymethyl)morpholine
CID 58341554
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555

Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylmethyl 2,2-difluoropropanoate?
The IUPAC name of morpholin-4-ylmethyl 2,2-difluoropropanoate (CID 58341547) is morpholin-4-ylmethyl 2,2-difluoropropanoate.
What is the SMILES notation for morpholin-4-ylmethyl 2,2-difluoropropanoate?
The canonical SMILES for morpholin-4-ylmethyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCN1CCOCC1.
What is the InChIKey of morpholin-4-ylmethyl 2,2-difluoropropanoate?
The InChIKey is UUPNAFNBCPCASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-8(9,10)7(12)14-6-11-2-4-13-5-3-11/h2-6H2,1H3.
What are the key properties of morpholin-4-ylmethyl 2,2-difluoropropanoate?
morpholin-4-ylmethyl 2,2-difluoropropanoate has a molecular weight of 209.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylmethyl 2,2-difluoropropanoate is sourced from PubChem (CID 58341547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).