N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide

C12H14F3NO2 — CID 134968269

IUPACN-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)(O)CC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-8(17)16-10-5-3-9(4-6-10)11(2,18)7-12(13,14)15/h3-6,18H,7H2,1-2H3,(H,16,17)
InChIKeyMSUURYFHVFIBRG-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.80
Rot. Bonds3

About N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide

N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide (PubChem CID 134968269) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide
PubChem CID134968269
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)(O)CC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-8(17)16-10-5-3-9(4-6-10)11(2,18)7-12(13,14)15/h3-6,18H,7H2,1-2H3,(H,16,17)
InChIKeyMSUURYFHVFIBRG-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide (CID 134968269) is N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(C(C)(O)CC(F)(F)F)cc1.
What is the InChIKey of N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide?
The InChIKey is MSUURYFHVFIBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(17)16-10-5-3-9(4-6-10)11(2,18)7-12(13,14)15/h3-6,18H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide?
N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide is sourced from PubChem (CID 134968269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).