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

C13H16F3NO2 — CID 15034414

IUPAC2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCCC(Cc1ccc(OC)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-10(17-12(18)13(14,15)16)8-9-4-6-11(19-2)7-5-9/h4-7,10H,3,8H2,1-2H3,(H,17,18)
InChIKeyJAAPFQCHYNGCOG-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.69
Rot. Bonds5

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

2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide (PubChem CID 15034414) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
PubChem CID15034414
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCCC(Cc1ccc(OC)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-10(17-12(18)13(14,15)16)8-9-4-6-11(19-2)7-5-9/h4-7,10H,3,8H2,1-2H3,(H,17,18)
InChIKeyJAAPFQCHYNGCOG-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (4S)-5-(4-methoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 25138757
(3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 25139382
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350646
N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 71195446
methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 131853056
[(4-methoxyphenyl)methylamino] 2,2,2-trifluoroacetate
CID 87974565
4-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 167728511
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
CID 60673041
methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 44890622
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide (CID 15034414) is 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide is CCC(Cc1ccc(OC)cc1)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide?
The InChIKey is JAAPFQCHYNGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-10(17-12(18)13(14,15)16)8-9-4-6-11(19-2)7-5-9/h4-7,10H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide?
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.69, 5 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)butan-2-yl]acetamide is sourced from PubChem (CID 15034414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).