4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol

C12H16F9NO2 — CID 58855510

IUPAC4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F9NO2/c13-9(14,5-8(23)6-22-1-3-24-4-2-22)7-10(15,11(16,17)18)12(19,20)21/h8,23H,1-7H2
InChIKeyCOZKWALPFBCFGQ-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.93
Rot. Bonds6

About 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol

4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol (PubChem CID 58855510) has the molecular formula C12H16F9NO2 and a molecular weight of 377.25 g/mol. Its IUPAC name is 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol.

Molecular Properties

Compound Name4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol
PubChem CID58855510
Molecular FormulaC12H16F9NO2
Molecular Weight377.25 g/mol
Exact Mass377.10
IUPAC Name4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F9NO2/c13-9(14,5-8(23)6-22-1-3-24-4-2-22)7-10(15,11(16,17)18)12(19,20)21/h8,23H,1-7H2
InChIKeyCOZKWALPFBCFGQ-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol?
The IUPAC name of 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol (CID 58855510) is 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol.
What is the SMILES notation for 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol?
The canonical SMILES for 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol is OC(CN1CCOCC1)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol?
The InChIKey is COZKWALPFBCFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F9NO2/c13-9(14,5-8(23)6-22-1-3-24-4-2-22)7-10(15,11(16,17)18)12(19,20)21/h8,23H,1-7H2.
What are the key properties of 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol?
4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol has a molecular weight of 377.25 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol is sourced from PubChem (CID 58855510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).