N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide

C13H14F3NO — CID 57423586

IUPACN-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(C2CC2)cc(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c1-7-5-10(9-3-4-9)6-8(2)11(7)17-12(18)13(14,15)16/h5-6,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyMOIPQMWKKFDCGO-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.68
Rot. Bonds2

About N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide

N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 57423586) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
PubChem CID57423586
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(C2CC2)cc(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c1-7-5-10(9-3-4-9)6-8(2)11(7)17-12(18)13(14,15)16/h5-6,9H,3-4H2,1-2H3,(H,17,18)
InChIKeyMOIPQMWKKFDCGO-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide (CID 57423586) is N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide is Cc1cc(C2CC2)cc(C)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is MOIPQMWKKFDCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-7-5-10(9-3-4-9)6-8(2)11(7)17-12(18)13(14,15)16/h5-6,9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 257.25 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57423586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).