2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide

C11H12F3NO2 — CID 140562444

IUPAC2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide
SMILESC[C@H](CO)c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C11H12F3NO2/c1-6(5-16)8-3-2-7(11(12,13)14)4-9(8)10(15)17/h2-4,6,16H,5H2,1H3,(H2,15,17)/t6-/m1/s1
InChIKeyPXISLYWTVWPVPN-ZCFIWIBFSA-N
MW247.22 g/mol
LogP1.90
Rot. Bonds3

About 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide

2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide (PubChem CID 140562444) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide
PubChem CID140562444
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide
SMILESC[C@H](CO)c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C11H12F3NO2/c1-6(5-16)8-3-2-7(11(12,13)14)4-9(8)10(15)17/h2-4,6,16H,5H2,1H3,(H2,15,17)/t6-/m1/s1
InChIKeyPXISLYWTVWPVPN-ZCFIWIBFSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide (CID 140562444) is 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide is C[C@H](CO)c1ccc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is PXISLYWTVWPVPN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-6(5-16)8-3-2-7(11(12,13)14)4-9(8)10(15)17/h2-4,6,16H,5H2,1H3,(H2,15,17)/t6-/m1/s1.
What are the key properties of 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide?
2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 247.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 140562444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).