ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate

C11H10F5NO2 — CID 134676140

IUPACethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(C(F)(F)F)cn1
InChIInChI=1S/C11H10F5NO2/c1-2-19-9(18)4-6-3-7(10(12)13)8(5-17-6)11(14,15)16/h3,5,10H,2,4H2,1H3
InChIKeyPJABHAQKYJGJSA-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.14
Rot. Bonds4

About ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate

ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 134676140) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID134676140
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC Nameethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(C(F)(F)F)cn1
InChIInChI=1S/C11H10F5NO2/c1-2-19-9(18)4-6-3-7(10(12)13)8(5-17-6)11(14,15)16/h3,5,10H,2,4H2,1H3
InChIKeyPJABHAQKYJGJSA-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665
ethyl 2-[2-amino-3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134663948
ethyl 2-[3-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133103837
ethyl 2-[2-bromo-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097912
ethyl 2-[5-(difluoromethyl)-2-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029308
ethyl 2-[6-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671964
ethyl 2-[3-(difluoromethyl)-2-iodo-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133100041
ethyl 2-[4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134670668
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348
ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133088380
ethyl 2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134684478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate (CID 134676140) is ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)c(C(F)(F)F)cn1.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is PJABHAQKYJGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2/c1-2-19-9(18)4-6-3-7(10(12)13)8(5-17-6)11(14,15)16/h3,5,10H,2,4H2,1H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 283.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134676140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).