2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide

C12H14F3NO — CID 166147669

IUPAC2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide
SMILESCCc1cccc(C(F)(F)C(=O)N(C)C)c1F
InChIInChI=1S/C12H14F3NO/c1-4-8-6-5-7-9(10(8)13)12(14,15)11(17)16(2)3/h5-7H,4H2,1-3H3
InChIKeyXEZNQOUAYQWXDF-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.57
Rot. Bonds3

About 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide

2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide (PubChem CID 166147669) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide
PubChem CID166147669
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide
SMILESCCc1cccc(C(F)(F)C(=O)N(C)C)c1F
InChIInChI=1S/C12H14F3NO/c1-4-8-6-5-7-9(10(8)13)12(14,15)11(17)16(2)3/h5-7H,4H2,1-3H3
InChIKeyXEZNQOUAYQWXDF-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-[3-(aminomethyl)-2-fluorophenyl]-2,2-difluoroacetate
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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide?
The IUPAC name of 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide (CID 166147669) is 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide is CCc1cccc(C(F)(F)C(=O)N(C)C)c1F.
What is the InChIKey of 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide?
The InChIKey is XEZNQOUAYQWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-4-8-6-5-7-9(10(8)13)12(14,15)11(17)16(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide?
2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide has a molecular weight of 245.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-fluorophenyl)-2,2-difluoro-N,N-dimethylacetamide is sourced from PubChem (CID 166147669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).