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

C9H16F3NO — CID 59539545

IUPAC4-tert-butyl-2-(trifluoromethyl)morpholine
SMILESCC(C)(C)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(2,3)13-4-5-14-7(6-13)9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyIDVHVOYKUQHBJX-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds

About 4-tert-butyl-2-(trifluoromethyl)morpholine

4-tert-butyl-2-(trifluoromethyl)morpholine (PubChem CID 59539545) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-tert-butyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-(trifluoromethyl)morpholine
PubChem CID59539545
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-tert-butyl-2-(trifluoromethyl)morpholine
SMILESCC(C)(C)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(2,3)13-4-5-14-7(6-13)9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyIDVHVOYKUQHBJX-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-tert-butyl-2-(trifluoromethyl)morpholine (CID 59539545) is 4-tert-butyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-tert-butyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-tert-butyl-2-(trifluoromethyl)morpholine is CC(C)(C)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-tert-butyl-2-(trifluoromethyl)morpholine?
The InChIKey is IDVHVOYKUQHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2,3)13-4-5-14-7(6-13)9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(trifluoromethyl)morpholine?
4-tert-butyl-2-(trifluoromethyl)morpholine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 59539545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).