1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone

C15H11ClF3NO2 — CID 2745745

IUPAC1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H11ClF3NO2/c1-9(21)10-2-4-12(5-3-10)22-8-14-13(16)6-11(7-20-14)15(17,18)19/h2-7H,8H2,1H3
InChIKeyUPMQDLLEXARUQJ-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.54
Rot. Bonds4

About 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone

1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone (PubChem CID 2745745) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone
PubChem CID2745745
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H11ClF3NO2/c1-9(21)10-2-4-12(5-3-10)22-8-14-13(16)6-11(7-20-14)15(17,18)19/h2-7H,8H2,1H3
InChIKeyUPMQDLLEXARUQJ-UHFFFAOYSA-N
XLogP4.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 16204324
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CID 3652861
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CID 759667
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CID 72734664
CID 72734664
CID 238350
CID 238350
CID 2746269
CID 2746269
CID 3721743
CID 3721743
CID 70696624
CID 70696624
CID 145982265
CID 145982265
CID 3760929
CID 3760929
CID 5784790
CID 5784790
CID 10539235
CID 10539235

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone (CID 2745745) is 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone?
The InChIKey is UPMQDLLEXARUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-9(21)10-2-4-12(5-3-10)22-8-14-13(16)6-11(7-20-14)15(17,18)19/h2-7H,8H2,1H3.
What are the key properties of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone?
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone has a molecular weight of 329.71 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 2745745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).