2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone

C15H18F3NO2 — CID 123366921

IUPAC2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone
SMILESCc1ccc(C2OC(C)(C)N(C(=O)C(F)F)C2CF)cc1
InChIInChI=1S/C15H18F3NO2/c1-9-4-6-10(7-5-9)12-11(8-16)19(14(20)13(17)18)15(2,3)21-12/h4-7,11-13H,8H2,1-3H3
InChIKeyUNFJOHCDUYWWET-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.23
Rot. Bonds3

About 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone

2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone (PubChem CID 123366921) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone
PubChem CID123366921
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone
SMILESCc1ccc(C2OC(C)(C)N(C(=O)C(F)F)C2CF)cc1
InChIInChI=1S/C15H18F3NO2/c1-9-4-6-10(7-5-9)12-11(8-16)19(14(20)13(17)18)15(2,3)21-12/h4-7,11-13H,8H2,1-3H3
InChIKeyUNFJOHCDUYWWET-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone (CID 123366921) is 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone is Cc1ccc(C2OC(C)(C)N(C(=O)C(F)F)C2CF)cc1.
What is the InChIKey of 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is UNFJOHCDUYWWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-9-4-6-10(7-5-9)12-11(8-16)19(14(20)13(17)18)15(2,3)21-12/h4-7,11-13H,8H2,1-3H3.
What are the key properties of 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone?
2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 301.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-(4-methylphenyl)-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 123366921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).