N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide

C11H12F3NO — CID 19768307

IUPACN-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-8(16)15-10(11(12,13)14)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,15,16)
InChIKeyNJOJQRXLHVWJSA-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.30
Rot. Bonds3

About N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide

N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide (PubChem CID 19768307) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide
PubChem CID19768307
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-8(16)15-10(11(12,13)14)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,15,16)
InChIKeyNJOJQRXLHVWJSA-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide?
The IUPAC name of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide (CID 19768307) is N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide is CC(=O)NC(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide?
The InChIKey is NJOJQRXLHVWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-8(16)15-10(11(12,13)14)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,15,16).
What are the key properties of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide?
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 19768307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).