ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate

C10H9F4NO2 — CID 171028667

IUPACethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nccc(C(F)(F)F)c1F
InChIInChI=1S/C10H9F4NO2/c1-2-17-8(16)5-7-9(11)6(3-4-15-7)10(12,13)14/h3-4H,2,5H2,1H3
InChIKeyPORQAHCJNDUTQJ-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.35
Rot. Bonds3

About ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate

ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 171028667) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID171028667
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Nameethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nccc(C(F)(F)F)c1F
InChIInChI=1S/C10H9F4NO2/c1-2-17-8(16)5-7-9(11)6(3-4-15-7)10(12,13)14/h3-4H,2,5H2,1H3
InChIKeyPORQAHCJNDUTQJ-UHFFFAOYSA-N
XLogP2.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
ethyl 2-[2-iodo-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133096536
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
ethyl 2-[6-bromo-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097922
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098143
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126
ethyl 2-[5-fluoro-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134631817
ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate
CID 23000617
diethyl 2-(3-fluoro-2-pyridinyl)propanedioate;ethyl 2-(3-fluoro-2-pyridinyl)acetate
CID 159674340

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate (CID 171028667) is ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1nccc(C(F)(F)F)c1F.
What is the InChIKey of ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is PORQAHCJNDUTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-2-17-8(16)5-7-9(11)6(3-4-15-7)10(12,13)14/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 251.18 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 171028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).