N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide

C14H18F3NO2 — CID 69342802

IUPACN-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCC(C)(C)c1ccc(CNC(=O)C(O)C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)10-6-4-9(5-7-10)8-18-12(20)11(19)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20)
InChIKeyBYURFNJVMPITRK-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.52
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide

N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 69342802) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID69342802
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCC(C)(C)c1ccc(CNC(=O)C(O)C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)10-6-4-9(5-7-10)8-18-12(20)11(19)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20)
InChIKeyBYURFNJVMPITRK-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 69342802) is N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide is CC(C)(C)c1ccc(CNC(=O)C(O)C(F)(F)F)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is BYURFNJVMPITRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(2,3)10-6-4-9(5-7-10)8-18-12(20)11(19)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide?
N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 289.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 69342802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).