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

C14H18F3NO2 — CID 169285783

IUPAC2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide
SMILESCC(C)(O)c1ccc(C(C)(C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-12(2,18-11(19)14(15,16)17)9-5-7-10(8-6-9)13(3,4)20/h5-8,20H,1-4H3,(H,18,19)
InChIKeyKCTOVVYBLUTBOM-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.83
Rot. Bonds3

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

2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide (PubChem CID 169285783) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide
PubChem CID169285783
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide
SMILESCC(C)(O)c1ccc(C(C)(C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-12(2,18-11(19)14(15,16)17)9-5-7-10(8-6-9)13(3,4)20/h5-8,20H,1-4H3,(H,18,19)
InChIKeyKCTOVVYBLUTBOM-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide (CID 169285783) is 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide is CC(C)(O)c1ccc(C(C)(C)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide?
The InChIKey is KCTOVVYBLUTBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-12(2,18-11(19)14(15,16)17)9-5-7-10(8-6-9)13(3,4)20/h5-8,20H,1-4H3,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide?
2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 169285783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).