2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide

C12H14F3NO — CID 4601088

IUPAC2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-9(8-10-6-4-3-5-7-10)16(2)11(17)12(13,14)15/h3-7,9H,8H2,1-2H3
InChIKeyAXAFMXNUGNZMCK-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.64
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 4601088) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide
PubChem CID4601088
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-9(8-10-6-4-3-5-7-10)16(2)11(17)12(13,14)15/h3-7,9H,8H2,1-2H3
InChIKeyAXAFMXNUGNZMCK-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide (CID 4601088) is 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide is CC(Cc1ccccc1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is AXAFMXNUGNZMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-9(8-10-6-4-3-5-7-10)16(2)11(17)12(13,14)15/h3-7,9H,8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 245.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 4601088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).