2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide

C12H13Cl2F2NO — CID 46914855

IUPAC2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
SMILESCCN(CC)C(=O)C(F)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2F2NO/c1-3-17(4-2)11(18)12(15,16)8-5-6-9(13)10(14)7-8/h5-7H,3-4H2,1-2H3
InChIKeyCXHFMDKWQLOASZ-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.95
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide

2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide (PubChem CID 46914855) has the molecular formula C12H13Cl2F2NO and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
PubChem CID46914855
Molecular FormulaC12H13Cl2F2NO
Molecular Weight296.14 g/mol
Exact Mass295.03
IUPAC Name2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
SMILESCCN(CC)C(=O)C(F)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2F2NO/c1-3-17(4-2)11(18)12(15,16)8-5-6-9(13)10(14)7-8/h5-7H,3-4H2,1-2H3
InChIKeyCXHFMDKWQLOASZ-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide (CID 46914855) is 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide is CCN(CC)C(=O)C(F)(F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide?
The InChIKey is CXHFMDKWQLOASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F2NO/c1-3-17(4-2)11(18)12(15,16)8-5-6-9(13)10(14)7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide?
2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide has a molecular weight of 296.14 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide is sourced from PubChem (CID 46914855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).