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

C17H22F3N5O — CID 650533

IUPAC4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCC(C)(C)n1nnnc1C(c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C17H22F3N5O/c1-16(2,3)25-15(21-22-23-25)14(24-7-9-26-10-8-24)12-5-4-6-13(11-12)17(18,19)20/h4-6,11,14H,7-10H2,1-3H3
InChIKeyQYVJVKVNQLIHAQ-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.87
Rot. Bonds3

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

4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 650533) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID650533
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCC(C)(C)n1nnnc1C(c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C17H22F3N5O/c1-16(2,3)25-15(21-22-23-25)14(24-7-9-26-10-8-24)12-5-4-6-13(11-12)17(18,19)20/h4-6,11,14H,7-10H2,1-3H3
InChIKeyQYVJVKVNQLIHAQ-UHFFFAOYSA-N
XLogP2.87
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 650533) is 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine is CC(C)(C)n1nnnc1C(c1cccc(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is QYVJVKVNQLIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-16(2,3)25-15(21-22-23-25)14(24-7-9-26-10-8-24)12-5-4-6-13(11-12)17(18,19)20/h4-6,11,14H,7-10H2,1-3H3.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 369.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 650533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).