2-benzyl-2-(trifluoromethyl)morpholine

C12H14F3NO — CID 174533843

IUPAC2-benzyl-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1(Cc2ccccc2)CNCCO1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11(9-16-6-7-17-11)8-10-4-2-1-3-5-10/h1-5,16H,6-9H2
InChIKeyXFFRSASCHMACSX-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.15
Rot. Bonds2

About 2-benzyl-2-(trifluoromethyl)morpholine

2-benzyl-2-(trifluoromethyl)morpholine (PubChem CID 174533843) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-benzyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2-benzyl-2-(trifluoromethyl)morpholine
PubChem CID174533843
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-benzyl-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1(Cc2ccccc2)CNCCO1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11(9-16-6-7-17-11)8-10-4-2-1-3-5-10/h1-5,16H,6-9H2
InChIKeyXFFRSASCHMACSX-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(trifluoromethyl)morpholine?
The IUPAC name of 2-benzyl-2-(trifluoromethyl)morpholine (CID 174533843) is 2-benzyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 2-benzyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for 2-benzyl-2-(trifluoromethyl)morpholine is FC(F)(F)C1(Cc2ccccc2)CNCCO1.
What is the InChIKey of 2-benzyl-2-(trifluoromethyl)morpholine?
The InChIKey is XFFRSASCHMACSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11(9-16-6-7-17-11)8-10-4-2-1-3-5-10/h1-5,16H,6-9H2.
What are the key properties of 2-benzyl-2-(trifluoromethyl)morpholine?
2-benzyl-2-(trifluoromethyl)morpholine has a molecular weight of 245.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 174533843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).