1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate

C10H14F5NO3 — CID 58855443

IUPAC1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO3/c1-7(6-16-2-4-18-5-3-16)19-8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3
InChIKeyCSKCRPRDBCNHSQ-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.45
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate

1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 58855443) has the molecular formula C10H14F5NO3 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate
PubChem CID58855443
Molecular FormulaC10H14F5NO3
Molecular Weight291.22 g/mol
Exact Mass291.09
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO3/c1-7(6-16-2-4-18-5-3-16)19-8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3
InChIKeyCSKCRPRDBCNHSQ-UHFFFAOYSA-N
XLogP1.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
(Ethylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91738534
N-(2-Acetoxypropyl)morpholine
CID 22706844
4-Methylmorpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 17843040
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
4-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
CID 18725573
2-Fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine
CID 23550516
Morpholin-4-ylmethyl 2,2-difluoropropanoate
CID 58341547
2,2-Difluoropropyl 2-morpholin-4-ylacetate
CID 58341548
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate (CID 58855443) is 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate is CC(CN1CCOCC1)OC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is CSKCRPRDBCNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO3/c1-7(6-16-2-4-18-5-3-16)19-8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate?
1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 291.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 58855443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).