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

C17H17F2NO3 — CID 162398364

IUPACethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(-c2ccc(C)cn2)cc1OC
InChIInChI=1S/C17H17F2NO3/c1-4-23-16(21)17(18,19)13-7-6-12(9-15(13)22-3)14-8-5-11(2)10-20-14/h5-10H,4H2,1-3H3
InChIKeyXPBMJPCSBPVQSM-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.72
Rot. Bonds5

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

ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate (PubChem CID 162398364) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate
PubChem CID162398364
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Nameethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(-c2ccc(C)cn2)cc1OC
InChIInChI=1S/C17H17F2NO3/c1-4-23-16(21)17(18,19)13-7-6-12(9-15(13)22-3)14-8-5-11(2)10-20-14/h5-10H,4H2,1-3H3
InChIKeyXPBMJPCSBPVQSM-UHFFFAOYSA-N
XLogP3.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate (CID 162398364) is ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate is CCOC(=O)C(F)(F)c1ccc(-c2ccc(C)cn2)cc1OC.
What is the InChIKey of ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate?
The InChIKey is XPBMJPCSBPVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-4-23-16(21)17(18,19)13-7-6-12(9-15(13)22-3)14-8-5-11(2)10-20-14/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate?
ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate has a molecular weight of 321.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[2-methoxy-4-(5-methyl-2-pyridinyl)phenyl]acetate is sourced from PubChem (CID 162398364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).