pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone

C14H9F4NO2 — CID 57269153

IUPACpyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H9F4NO2/c15-13(14(16,17)18)21-11-5-3-9(4-6-11)12(20)10-2-1-7-19-8-10/h1-8,13H
InChIKeyJMRSMTIQMUKQEX-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.55
Rot. Bonds4

About pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone

pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone (PubChem CID 57269153) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone
PubChem CID57269153
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Namepyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H9F4NO2/c15-13(14(16,17)18)21-11-5-3-9(4-6-11)12(20)10-2-1-7-19-8-10/h1-8,13H
InChIKeyJMRSMTIQMUKQEX-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone?
The IUPAC name of pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone (CID 57269153) is pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone?
The canonical SMILES for pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone is O=C(c1ccc(OC(F)C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone?
The InChIKey is JMRSMTIQMUKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c15-13(14(16,17)18)21-11-5-3-9(4-6-11)12(20)10-2-1-7-19-8-10/h1-8,13H.
What are the key properties of pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone?
pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone has a molecular weight of 299.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-(1,2,2,2-tetrafluoroethoxy)phenyl]methanone is sourced from PubChem (CID 57269153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).