cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C17H20F3NO2 — CID 95366900

IUPACcyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)14-7-5-12(6-8-14)15-11-21(9-10-23-15)16(22)13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2/t15-/m0/s1
InChIKeyKGUNPZDAHZMIDV-HNNXBMFYSA-N
MW327.35 g/mol
LogP3.80
Rot. Bonds2

About cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 95366900) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID95366900
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Namecyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)14-7-5-12(6-8-14)15-11-21(9-10-23-15)16(22)13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2/t15-/m0/s1
InChIKeyKGUNPZDAHZMIDV-HNNXBMFYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 95366900) is cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is O=C(C1CCCC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is KGUNPZDAHZMIDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c18-17(19,20)14-7-5-12(6-8-14)15-11-21(9-10-23-15)16(22)13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2/t15-/m0/s1.
What are the key properties of cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 327.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 95366900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).