N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide

C12H14F3NO2 — CID 135065922

IUPACN-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(CC(NC(C)=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-8(17)16-11(12(13,14)15)7-9-3-5-10(18-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKeyBUOCFYJJEVQYMJ-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.30
Rot. Bonds4

About N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide

N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 135065922) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide
PubChem CID135065922
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(CC(NC(C)=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-8(17)16-11(12(13,14)15)7-9-3-5-10(18-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKeyBUOCFYJJEVQYMJ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide (CID 135065922) is N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide is COc1ccc(CC(NC(C)=O)C(F)(F)F)cc1.
What is the InChIKey of N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The InChIKey is BUOCFYJJEVQYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(17)16-11(12(13,14)15)7-9-3-5-10(18-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide?
N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 135065922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).