3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide

C11H8F7NO2 — CID 154217889

IUPAC3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
SMILESNC(=O)C(O)(Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F
InChIInChI=1S/C11H8F7NO2/c12-7-2-1-6(10(13,14)15)3-5(7)4-9(21,8(19)20)11(16,17)18/h1-3,21H,4H2,(H2,19,20)
InChIKeyPNCFSEPASLFRFF-UHFFFAOYSA-N
MW319.18 g/mol
LogP2.17
Rot. Bonds3

About 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide

3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide (PubChem CID 154217889) has the molecular formula C11H8F7NO2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
PubChem CID154217889
Molecular FormulaC11H8F7NO2
Molecular Weight319.18 g/mol
Exact Mass319.04
IUPAC Name3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
SMILESNC(=O)C(O)(Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F
InChIInChI=1S/C11H8F7NO2/c12-7-2-1-6(10(13,14)15)3-5(7)4-9(21,8(19)20)11(16,17)18/h1-3,21H,4H2,(H2,19,20)
InChIKeyPNCFSEPASLFRFF-UHFFFAOYSA-N
XLogP2.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 83402778
1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
CID 162566787
3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
2-[2-fluoro-5-(trifluoromethyl)phenyl]ethylhydrazine
CID 53402567
4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509624
2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
CID 58960044
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
CID 22120088
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine
CID 83808880
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl-propylamino]acetic acid
CID 122039932
2-(3,3-dimethylbutyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 129147241

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide?
The IUPAC name of 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide (CID 154217889) is 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide is NC(=O)C(O)(Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide?
The InChIKey is PNCFSEPASLFRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F7NO2/c12-7-2-1-6(10(13,14)15)3-5(7)4-9(21,8(19)20)11(16,17)18/h1-3,21H,4H2,(H2,19,20).
What are the key properties of 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide?
3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide has a molecular weight of 319.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 154217889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).