4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine

C13H14F3N5O — CID 4562244

IUPAC4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1cccc(-n2nnnc2CN2CCOCC2)c1
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)10-2-1-3-11(8-10)21-12(17-18-19-21)9-20-4-6-22-7-5-20/h1-3,8H,4-7,9H2
InChIKeyGYHNTOWCMLSOGI-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.51
Rot. Bonds3

About 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine

4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine (PubChem CID 4562244) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine
PubChem CID4562244
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1cccc(-n2nnnc2CN2CCOCC2)c1
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)10-2-1-3-11(8-10)21-12(17-18-19-21)9-20-4-6-22-7-5-20/h1-3,8H,4-7,9H2
InChIKeyGYHNTOWCMLSOGI-UHFFFAOYSA-N
XLogP1.51
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine (CID 4562244) is 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine is FC(F)(F)c1cccc(-n2nnnc2CN2CCOCC2)c1.
What is the InChIKey of 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine?
The InChIKey is GYHNTOWCMLSOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c14-13(15,16)10-2-1-3-11(8-10)21-12(17-18-19-21)9-20-4-6-22-7-5-20/h1-3,8H,4-7,9H2.
What are the key properties of 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine?
4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine has a molecular weight of 313.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 4562244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).