1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol

C16H19F14NO3 — CID 58855454

IUPAC1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)F)CN1CCOCC1
InChIInChI=1S/C16H19F14NO3/c17-10(18)11(19,20)7-12(21,22)14(25,26)16(29,30)15(27,28)13(23,24)8-34-6-9(32)5-31-1-3-33-4-2-31/h9-10,32H,1-8H2
InChIKeyDXEFTNPWBPGGHI-UHFFFAOYSA-N
MW539.30 g/mol
LogP4.16
Rot. Bonds13

About 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol

1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol (PubChem CID 58855454) has the molecular formula C16H19F14NO3 and a molecular weight of 539.30 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol
PubChem CID58855454
Molecular FormulaC16H19F14NO3
Molecular Weight539.30 g/mol
Exact Mass539.11
IUPAC Name1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)F)CN1CCOCC1
InChIInChI=1S/C16H19F14NO3/c17-10(18)11(19,20)7-12(21,22)14(25,26)16(29,30)15(27,28)13(23,24)8-34-6-9(32)5-31-1-3-33-4-2-31/h9-10,32H,1-8H2
InChIKeyDXEFTNPWBPGGHI-UHFFFAOYSA-N
XLogP4.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol (CID 58855454) is 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol is OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)F)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol?
The InChIKey is DXEFTNPWBPGGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F14NO3/c17-10(18)11(19,20)7-12(21,22)14(25,26)16(29,30)15(27,28)13(23,24)8-34-6-9(32)5-31-1-3-33-4-2-31/h9-10,32H,1-8H2.
What are the key properties of 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol?
1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol has a molecular weight of 539.30 g/mol, XLogP of 4.16, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5,6,6,8,8,9,9-tetradecafluorononoxy)propan-2-ol is sourced from PubChem (CID 58855454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).