N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide

C10H10F3NO — CID 675950

IUPACN-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)cc1C
InChIInChI=1S/C10H10F3NO/c1-6-3-4-8(5-7(6)2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyFIUPCIWUFSPNFU-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.80
Rot. Bonds1

About N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide

N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 675950) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
PubChem CID675950
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)cc1C
InChIInChI=1S/C10H10F3NO/c1-6-3-4-8(5-7(6)2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyFIUPCIWUFSPNFU-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10843
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CID 8443
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CID 11942
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CID 19998
CID 19998
CID 16303
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CID 18787
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CID 137264
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CID 36332
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CID 11394
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CID 67655
CID 67655

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide (CID 675950) is N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide is Cc1ccc(NC(=O)C(F)(F)F)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is FIUPCIWUFSPNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-3-4-8(5-7(6)2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide?
N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 217.19 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 675950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).