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

C15H20F3NO — CID 91732197

IUPACN-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
SMILESCCCCN(C(=O)C(F)(F)F)C(C)Cc1ccccc1
InChIInChI=1S/C15H20F3NO/c1-3-4-10-19(14(20)15(16,17)18)12(2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyFHBVOJCPZXLAJX-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.81
Rot. Bonds6

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

N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 91732197) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
PubChem CID91732197
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
SMILESCCCCN(C(=O)C(F)(F)F)C(C)Cc1ccccc1
InChIInChI=1S/C15H20F3NO/c1-3-4-10-19(14(20)15(16,17)18)12(2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyFHBVOJCPZXLAJX-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide (CID 91732197) is N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide is CCCCN(C(=O)C(F)(F)F)C(C)Cc1ccccc1.
What is the InChIKey of N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is FHBVOJCPZXLAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-3-4-10-19(14(20)15(16,17)18)12(2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 91732197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).