N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide

C12H14F3NO — CID 78324510

IUPACN-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)NC(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)11(16-9(2)17)7-12(13,14)15/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKeyRWLOAVHQFMLDTC-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.12
Rot. Bonds3

About N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide

N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide (PubChem CID 78324510) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
PubChem CID78324510
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)NC(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)11(16-9(2)17)7-12(13,14)15/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKeyRWLOAVHQFMLDTC-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide (CID 78324510) is N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide is CC(=O)NC(CC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is RWLOAVHQFMLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)11(16-9(2)17)7-12(13,14)15/h3-6,11H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 245.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 78324510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).