[2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

C13H12F3N5O2 — CID 95551264

IUPAC[2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1-c1nn[nH]n1)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)10-7-21(5-6-23-10)12(22)9-4-2-1-3-8(9)11-17-19-20-18-11/h1-4,10H,5-7H2,(H,17,18,19,20)/t10-/m0/s1
InChIKeyOPCXVDGUYISWSZ-JTQLQIEISA-N
MW327.27 g/mol
LogP1.27
Rot. Bonds2

About [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

[2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 95551264) has the molecular formula C13H12F3N5O2 and a molecular weight of 327.27 g/mol. Its IUPAC name is [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID95551264
Molecular FormulaC13H12F3N5O2
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC Name[2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1-c1nn[nH]n1)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)10-7-21(5-6-23-10)12(22)9-4-2-1-3-8(9)11-17-19-20-18-11/h1-4,10H,5-7H2,(H,17,18,19,20)/t10-/m0/s1
InChIKeyOPCXVDGUYISWSZ-JTQLQIEISA-N
XLogP1.27
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 95551264) is [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1ccccc1-c1nn[nH]n1)N1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is OPCXVDGUYISWSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12F3N5O2/c14-13(15,16)10-7-21(5-6-23-10)12(22)9-4-2-1-3-8(9)11-17-19-20-18-11/h1-4,10H,5-7H2,(H,17,18,19,20)/t10-/m0/s1.
What are the key properties of [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
[2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 327.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95551264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).