6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol

C11H20F3NO2 — CID 79045363

IUPAC6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol
SMILESCC(C)(C(O)CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-10(2,15-5-7-17-8-6-15)9(16)3-4-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeySWUNRXSHQCFHEU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds4

About 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol

6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol (PubChem CID 79045363) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol
PubChem CID79045363
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol
SMILESCC(C)(C(O)CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-10(2,15-5-7-17-8-6-15)9(16)3-4-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeySWUNRXSHQCFHEU-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol (CID 79045363) is 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol is CC(C)(C(O)CCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol?
The InChIKey is SWUNRXSHQCFHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-10(2,15-5-7-17-8-6-15)9(16)3-4-11(12,13)14/h9,16H,3-8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol?
6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol has a molecular weight of 255.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-ol is sourced from PubChem (CID 79045363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).