trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol

C13H20F3N5O2 — CID 129351568

IUPACtrans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nnn(CC(F)(F)F)n1
InChIInChI=1S/C13H20F3N5O2/c14-13(15,16)8-21-18-12(17-19-21)6-20-4-5-23-7-10(20)9-2-1-3-11(9)22/h9-11,22H,1-8H2/t9-,10-,11+/m0/s1
InChIKeyLPUXCZSKIZKVCY-GARJFASQSA-N
MW335.33 g/mol
LogP0.60
Rot. Bonds4

About trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol

trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol (PubChem CID 129351568) has the molecular formula C13H20F3N5O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol
PubChem CID129351568
Molecular FormulaC13H20F3N5O2
Molecular Weight335.33 g/mol
Exact Mass335.16
IUPAC Nametrans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nnn(CC(F)(F)F)n1
InChIInChI=1S/C13H20F3N5O2/c14-13(15,16)8-21-18-12(17-19-21)6-20-4-5-23-7-10(20)9-2-1-3-11(9)22/h9-11,22H,1-8H2/t9-,10-,11+/m0/s1
InChIKeyLPUXCZSKIZKVCY-GARJFASQSA-N
XLogP0.60
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol (CID 129351568) is trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol is O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nnn(CC(F)(F)F)n1.
What is the InChIKey of trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is LPUXCZSKIZKVCY-GARJFASQSA-N. The full InChI is InChI=1S/C13H20F3N5O2/c14-13(15,16)8-21-18-12(17-19-21)6-20-4-5-23-7-10(20)9-2-1-3-11(9)22/h9-11,22H,1-8H2/t9-,10-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol?
trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 335.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 129351568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).