1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate

C14H14F11NO3 — CID 58855471

IUPAC1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H14F11NO3/c1-7(6-26-2-4-28-5-3-26)29-8(27)9(15)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h7H,2-6H2,1H3
InChIKeyHWQZFOWSBDSYOM-UHFFFAOYSA-N
MW453.25 g/mol
LogP3.15
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate

1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate (PubChem CID 58855471) has the molecular formula C14H14F11NO3 and a molecular weight of 453.25 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
PubChem CID58855471
Molecular FormulaC14H14F11NO3
Molecular Weight453.25 g/mol
Exact Mass453.08
IUPAC Name1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H14F11NO3/c1-7(6-26-2-4-28-5-3-26)29-8(27)9(15)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h7H,2-6H2,1H3
InChIKeyHWQZFOWSBDSYOM-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate with MolForge

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Related Compounds

[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 649208
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate
CID 162509021
1-morpholin-4-ylpropan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride
CID 17065256
1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate
CID 59117409
1-morpholin-4-ylpropan-2-yl 1,3-thiazole-4-carboxylate
CID 84600439
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate (CID 58855471) is 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate is CC(CN1CCOCC1)OC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate?
The InChIKey is HWQZFOWSBDSYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F11NO3/c1-7(6-26-2-4-28-5-3-26)29-8(27)9(15)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h7H,2-6H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate?
1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate has a molecular weight of 453.25 g/mol, XLogP of 3.15, 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 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate is sourced from PubChem (CID 58855471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).