4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol

C14H16F13NO2 — CID 58855395

IUPAC4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H16F13NO2/c15-9(16,5-8(29)6-28-1-3-30-4-2-28)7-10(17,18)12(20,21)11(19,13(22,23)24)14(25,26)27/h8,29H,1-7H2
InChIKeyVVCICPRWPWGPNJ-UHFFFAOYSA-N
MW477.26 g/mol
LogP4.20
Rot. Bonds8

About 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol

4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol (PubChem CID 58855395) has the molecular formula C14H16F13NO2 and a molecular weight of 477.26 g/mol. Its IUPAC name is 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol.

Molecular Properties

Compound Name4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
PubChem CID58855395
Molecular FormulaC14H16F13NO2
Molecular Weight477.26 g/mol
Exact Mass477.10
IUPAC Name4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H16F13NO2/c15-9(16,5-8(29)6-28-1-3-30-4-2-28)7-10(17,18)12(20,21)11(19,13(22,23)24)14(25,26)27/h8,29H,1-7H2
InChIKeyVVCICPRWPWGPNJ-UHFFFAOYSA-N
XLogP4.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol?
The IUPAC name of 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol (CID 58855395) is 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol.
What is the SMILES notation for 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol?
The canonical SMILES for 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol is OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol?
The InChIKey is VVCICPRWPWGPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F13NO2/c15-9(16,5-8(29)6-28-1-3-30-4-2-28)7-10(17,18)12(20,21)11(19,13(22,23)24)14(25,26)27/h8,29H,1-7H2.
What are the key properties of 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol?
4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol has a molecular weight of 477.26 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,7,7,8,9,9,9-decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol is sourced from PubChem (CID 58855395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).