pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone

C17H15F3N2O2 — CID 78824899

IUPACpyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCC1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)13-5-8-15(21-11-13)24-14-6-3-12(4-7-14)16(23)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2
InChIKeyRQAONFKKGWFCPE-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.13
Rot. Bonds3

About pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone

pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 78824899) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID78824899
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Namepyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCC1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)13-5-8-15(21-11-13)24-14-6-3-12(4-7-14)16(23)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2
InChIKeyRQAONFKKGWFCPE-UHFFFAOYSA-N
XLogP4.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone (CID 78824899) is pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is RQAONFKKGWFCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)13-5-8-15(21-11-13)24-14-6-3-12(4-7-14)16(23)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2.
What are the key properties of pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone?
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 336.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 78824899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).