2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide

C12H14ClF2NO — CID 125484423

IUPAC2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
SMILESCCN(CC)C(=O)C(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClF2NO/c1-3-16(4-2)11(17)12(14,15)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyKKLVYCFOWGGSFH-UHFFFAOYSA-N
MW261.70 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide

2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide (PubChem CID 125484423) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
PubChem CID125484423
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC Name2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
SMILESCCN(CC)C(=O)C(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClF2NO/c1-3-16(4-2)11(17)12(14,15)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyKKLVYCFOWGGSFH-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11673919
1-[1-(4-Chlorophenyl)cyclopropanecarbonyl]piperidine
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2-chloro-N,N-diethyl-2-phenylacetamide
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5-(4-Chloro-phenyl)-1-methyl-piperidin-2-one
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2-(4-Chloro-phenyl)-N-methyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-propyl)-acetamide
CID 15130809
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CID 60643399

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide (CID 125484423) is 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide is CCN(CC)C(=O)C(F)(F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide?
The InChIKey is KKLVYCFOWGGSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c1-3-16(4-2)11(17)12(14,15)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide?
2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide has a molecular weight of 261.70 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide is sourced from PubChem (CID 125484423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).