2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide

C12H14F3NO2 — CID 62733543

IUPAC2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C12H14F3NO2/c1-3-10(16-11(17)12(13,14)15)8-4-6-9(18-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,16,17)
InChIKeyLOYDUPQIJGTBBB-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.82
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide

2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 62733543) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
PubChem CID62733543
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C12H14F3NO2/c1-3-10(16-11(17)12(13,14)15)8-4-6-9(18-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,16,17)
InChIKeyLOYDUPQIJGTBBB-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-methoxyphenyl)propyl]-2-methylpropanamide
CID 61266584
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
CID 15034414
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
2-ethoxy-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 60657142
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide (CID 62733543) is 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide is CCC(NC(=O)C(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is LOYDUPQIJGTBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-10(16-11(17)12(13,14)15)8-4-6-9(18-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide?
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 62733543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).