5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol

C12H22F3NO2 — CID 113326908

IUPAC5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol
SMILESCC(C)N1CCOC(C(O)CCCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-9(2)16-6-7-18-11(8-16)10(17)4-3-5-12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyINUXHXKOHQWOBK-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.19
Rot. Bonds5

About 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol

5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol (PubChem CID 113326908) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol
PubChem CID113326908
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol
SMILESCC(C)N1CCOC(C(O)CCCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-9(2)16-6-7-18-11(8-16)10(17)4-3-5-12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyINUXHXKOHQWOBK-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol (CID 113326908) is 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol is CC(C)N1CCOC(C(O)CCCC(F)(F)F)C1.
What is the InChIKey of 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol?
The InChIKey is INUXHXKOHQWOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(2)16-6-7-18-11(8-16)10(17)4-3-5-12(13,14)15/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol?
5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol is sourced from PubChem (CID 113326908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).