4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine

C13H16FN5O — CID 1438533

IUPAC4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine
SMILESFc1ccc(Cn2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C13H16FN5O/c14-12-3-1-11(2-4-12)9-19-13(15-16-17-19)10-18-5-7-20-8-6-18/h1-4H,5-10H2
InChIKeyYEDZDUSJVRMYSI-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.69
Rot. Bonds4

About 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine

4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine (PubChem CID 1438533) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine
PubChem CID1438533
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine
SMILESFc1ccc(Cn2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C13H16FN5O/c14-12-3-1-11(2-4-12)9-19-13(15-16-17-19)10-18-5-7-20-8-6-18/h1-4H,5-10H2
InChIKeyYEDZDUSJVRMYSI-UHFFFAOYSA-N
XLogP0.69
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine (CID 1438533) is 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine is Fc1ccc(Cn2nnnc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine?
The InChIKey is YEDZDUSJVRMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c14-12-3-1-11(2-4-12)9-19-13(15-16-17-19)10-18-5-7-20-8-6-18/h1-4H,5-10H2.
What are the key properties of 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine?
4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine has a molecular weight of 277.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 1438533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).