2,2,2-trifluoro-N-(3-phenylbutyl)acetamide

C12H14F3NO — CID 62726748

IUPAC2,2,2-trifluoro-N-(3-phenylbutyl)acetamide
SMILESCC(CCNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F3NO/c1-9(10-5-3-2-4-6-10)7-8-16-11(17)12(13,14)15/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyCILVTNKRIJRSBH-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.86
Rot. Bonds4

About 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide

2,2,2-trifluoro-N-(3-phenylbutyl)acetamide (PubChem CID 62726748) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-phenylbutyl)acetamide
PubChem CID62726748
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,2,2-trifluoro-N-(3-phenylbutyl)acetamide
SMILESCC(CCNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F3NO/c1-9(10-5-3-2-4-6-10)7-8-16-11(17)12(13,14)15/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyCILVTNKRIJRSBH-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide (CID 62726748) is 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide is CC(CCNC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide?
The InChIKey is CILVTNKRIJRSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-9(10-5-3-2-4-6-10)7-8-16-11(17)12(13,14)15/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide?
2,2,2-trifluoro-N-(3-phenylbutyl)acetamide has a molecular weight of 245.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-phenylbutyl)acetamide is sourced from PubChem (CID 62726748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).