N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide

C13H13F6NO3 — CID 823259

IUPACN-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
SMILESCCOc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6NO3/c1-2-23-9-6-4-3-5-8(9)20-10(21)7-11(22,12(14,15)16)13(17,18)19/h3-6,22H,2,7H2,1H3,(H,20,21)
InChIKeyVZRFWHSQVYMLMR-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.27
Rot. Bonds5

About N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide

N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide (PubChem CID 823259) has the molecular formula C13H13F6NO3 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
PubChem CID823259
Molecular FormulaC13H13F6NO3
Molecular Weight345.24 g/mol
Exact Mass345.08
IUPAC NameN-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
SMILESCCOc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6NO3/c1-2-23-9-6-4-3-5-8(9)20-10(21)7-11(22,12(14,15)16)13(17,18)19/h3-6,22H,2,7H2,1H3,(H,20,21)
InChIKeyVZRFWHSQVYMLMR-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14130
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CID 7078
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CID 11383
2'-(Trifluoromethoxy)acetanilide
CID 600772
2-Phenoxyacetanilide
CID 897080
N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide
CID 2831257
(2S)-3-(4-fluorophenoxy)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 16738010
N-(2-methoxyphenyl)-2-oxooxolane-3-carboxamide
CID 4523613
2-Methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one
CID 572983
N-(2-phenoxyphenyl)propanamide
CID 897217
N-(4-Ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 9979

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide?
The IUPAC name of N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide (CID 823259) is N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide is CCOc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide?
The InChIKey is VZRFWHSQVYMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO3/c1-2-23-9-6-4-3-5-8(9)20-10(21)7-11(22,12(14,15)16)13(17,18)19/h3-6,22H,2,7H2,1H3,(H,20,21).
What are the key properties of N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide?
N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide has a molecular weight of 345.24 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide is sourced from PubChem (CID 823259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).