ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate

C17H17F2NO2 — CID 162398363

IUPACethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(-c2ccc(C)cn2)cc1C
InChIInChI=1S/C17H17F2NO2/c1-4-22-16(21)17(18,19)14-7-6-13(9-12(14)3)15-8-5-11(2)10-20-15/h5-10H,4H2,1-3H3
InChIKeyAMWWMUDWSGRXPS-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.02
Rot. Bonds4

About ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate

ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate (PubChem CID 162398363) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate
PubChem CID162398363
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Nameethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(-c2ccc(C)cn2)cc1C
InChIInChI=1S/C17H17F2NO2/c1-4-22-16(21)17(18,19)14-7-6-13(9-12(14)3)15-8-5-11(2)10-20-15/h5-10H,4H2,1-3H3
InChIKeyAMWWMUDWSGRXPS-UHFFFAOYSA-N
XLogP4.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9886874
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(3R,3aS,4S,5R,6S,7aR)-5-ethyl-3,6-dimethyl-4-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate (CID 162398363) is ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate is CCOC(=O)C(F)(F)c1ccc(-c2ccc(C)cn2)cc1C.
What is the InChIKey of ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate?
The InChIKey is AMWWMUDWSGRXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-4-22-16(21)17(18,19)14-7-6-13(9-12(14)3)15-8-5-11(2)10-20-15/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate?
ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate has a molecular weight of 305.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[2-methyl-4-(5-methyl-2-pyridinyl)phenyl]acetate is sourced from PubChem (CID 162398363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).