4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide

C11H12F3NO2 — CID 175410360

IUPAC4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide
SMILESCC(O)(C(N)=O)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-10(17,9(15)16)8(11(12,13)14)7-5-3-2-4-6-7/h2-6,8,17H,1H3,(H2,15,16)
InChIKeyNQSMNTJXBONCTP-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.57
Rot. Bonds3

About 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide

4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide (PubChem CID 175410360) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide
PubChem CID175410360
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide
SMILESCC(O)(C(N)=O)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-10(17,9(15)16)8(11(12,13)14)7-5-3-2-4-6-7/h2-6,8,17H,1H3,(H2,15,16)
InChIKeyNQSMNTJXBONCTP-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyanophenyl)-4,4,4-trifluoro-2-hydroxy-2-methylbutanamide
CID 122640222
(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604
(2R,3S)-2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanamide
CID 166708455
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
2,2-bis(1-phenylethyl)propanediamide
CID 118221756
2-[fluoro(phenyl)methyl]-2-methylbutanamide
CID 66580068
2-amino-4,4,4-trifluoro-3-(4-hydroxyphenyl)-2-methylbutanoic acid
CID 146661615
2-phenyl-2-(1,2,2,2-tetrafluoroethoxy)acetamide
CID 68531753
2-benzhydrylsulfanyl-2-methylpropanamide
CID 15225702
2,3-difluoro-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]pentanamide
CID 141417016
bis(carbamothioic S-acid);cumene
CID 87644989
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide?
The IUPAC name of 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide (CID 175410360) is 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide is CC(O)(C(N)=O)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide?
The InChIKey is NQSMNTJXBONCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-10(17,9(15)16)8(11(12,13)14)7-5-3-2-4-6-7/h2-6,8,17H,1H3,(H2,15,16).
What are the key properties of 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide?
4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide has a molecular weight of 247.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide is sourced from PubChem (CID 175410360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).