5-tert-butyl-2-(trifluoromethyl)morpholine

C9H16F3NO — CID 127013515

IUPAC5-tert-butyl-2-(trifluoromethyl)morpholine
SMILESCC(C)(C)C1COC(C(F)(F)F)CN1
InChIInChI=1S/C9H16F3NO/c1-8(2,3)6-5-14-7(4-13-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyCTYQTXXKZLZJGA-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds

About 5-tert-butyl-2-(trifluoromethyl)morpholine

5-tert-butyl-2-(trifluoromethyl)morpholine (PubChem CID 127013515) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-tert-butyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name5-tert-butyl-2-(trifluoromethyl)morpholine
PubChem CID127013515
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name5-tert-butyl-2-(trifluoromethyl)morpholine
SMILESCC(C)(C)C1COC(C(F)(F)F)CN1
InChIInChI=1S/C9H16F3NO/c1-8(2,3)6-5-14-7(4-13-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyCTYQTXXKZLZJGA-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine
CID 124508872
5-tert-butyl-2-methylmorpholine
CID 82280213
5-tert-butyl-2-(methoxymethyl)morpholine
CID 130979755
2-tert-butyl-4-(trifluoromethyl)pyrrolidine
CID 82606198
methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate
CID 155970908
2-tert-butyl-5-ethylmorpholine
CID 43366876
2-(2-fluoropropan-2-yl)azetidine
CID 105427113
(5R)-5-methyl-2-(trifluoromethyl)oxane
CID 155244319
5-(1,1-difluoroethyl)-2-(propan-2-yloxymethyl)morpholine
CID 167664753
2-tert-butyl-5-(trifluoromethoxy)piperidine
CID 155003843
3-ethyl-2-methyl-6-(trifluoromethyl)morpholine
CID 131021253
3-tert-butylmorpholine;methanamine
CID 144581691

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(trifluoromethyl)morpholine?
The IUPAC name of 5-tert-butyl-2-(trifluoromethyl)morpholine (CID 127013515) is 5-tert-butyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 5-tert-butyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for 5-tert-butyl-2-(trifluoromethyl)morpholine is CC(C)(C)C1COC(C(F)(F)F)CN1.
What is the InChIKey of 5-tert-butyl-2-(trifluoromethyl)morpholine?
The InChIKey is CTYQTXXKZLZJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2,3)6-5-14-7(4-13-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(trifluoromethyl)morpholine?
5-tert-butyl-2-(trifluoromethyl)morpholine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 127013515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).