4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine

C9H16F3NO — CID 146614610

IUPAC4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
SMILESCC(C)N1CCOC(CC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2)13-3-4-14-8(6-13)5-9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeySEGIDKZPLWRDJP-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds2

About 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine

4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine (PubChem CID 146614610) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
PubChem CID146614610
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
SMILESCC(C)N1CCOC(CC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2)13-3-4-14-8(6-13)5-9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeySEGIDKZPLWRDJP-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
4-propan-2-yl-2-propylmorpholine
CID 118118152
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 107488854
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212449
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781
2-(2-piperidin-1-ylpropyl)-4-propan-2-ylmorpholine
CID 170192715

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine?
The IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine (CID 146614610) is 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine.
What is the SMILES notation for 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine?
The canonical SMILES for 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine is CC(C)N1CCOC(CC(F)(F)F)C1.
What is the InChIKey of 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine?
The InChIKey is SEGIDKZPLWRDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)13-3-4-14-8(6-13)5-9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine?
4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine is sourced from PubChem (CID 146614610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).