ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate

C15H20F3NO2 — CID 68843364

IUPACethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate
SMILESCCCc1cc(C(F)(F)F)cnc1CCCC(=O)OCC
InChIInChI=1S/C15H20F3NO2/c1-3-6-11-9-12(15(16,17)18)10-19-13(11)7-5-8-14(20)21-4-2/h9-10H,3-8H2,1-2H3
InChIKeyPHZLSQNSWHEJTN-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.94
Rot. Bonds7

About ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate

ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate (PubChem CID 68843364) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate
PubChem CID68843364
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Nameethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate
SMILESCCCc1cc(C(F)(F)F)cnc1CCCC(=O)OCC
InChIInChI=1S/C15H20F3NO2/c1-3-6-11-9-12(15(16,17)18)10-19-13(11)7-5-8-14(20)21-4-2/h9-10H,3-8H2,1-2H3
InChIKeyPHZLSQNSWHEJTN-UHFFFAOYSA-N
XLogP3.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl (E)-7-phenyl-7-(3-pyridyl)-6-heptenoate
CID 13417304
sodium 2-[(2S,4R)-1-[(1R)-4-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46216678
Methyl 3-(pyridin-3-yl)propanoate
CID 10329646
Ethyl difluoro(pyridin-2-yl)acetate
CID 10631894
sodium 2-[(2S,4R)-1-[(1R)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46231469
sodium 2-[(2S,4R)-2-[4-(trifluoromethyl)phenyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl]piperidin-4-yl]acetate
CID 46231522
sodium 2-[(2S,4R)-1-[(1R)-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46231524
sodium 2-[(2S,4R)-2-[4-(trifluoromethyl)phenyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]heptyl]piperidin-4-yl]acetate
CID 46231577
sodium 2-[(2S,4R)-1-[(1R)-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46231688
(3R,3aS,4R,5S,7aR)-6,6-difluoro-4-[5-(3-fluorophenyl)-2-pyridinyl]-3,5-dimethyl-3,3a,4,5,7,7a-hexahydro-2-benzofuran-1-one
CID 166625964
Ethyl 2-phenyl-4-(pyridin-2-yl)butanoate
CID 238372
3-(5-Ethyl-2-pyridinyl)propanoic acid
CID 411803

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate?
The IUPAC name of ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate (CID 68843364) is ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate.
What is the SMILES notation for ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate?
The canonical SMILES for ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate is CCCc1cc(C(F)(F)F)cnc1CCCC(=O)OCC.
What is the InChIKey of ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate?
The InChIKey is PHZLSQNSWHEJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-3-6-11-9-12(15(16,17)18)10-19-13(11)7-5-8-14(20)21-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate?
ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate has a molecular weight of 303.32 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-propyl-5-(trifluoromethyl)-2-pyridinyl]butanoate is sourced from PubChem (CID 68843364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).