3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide

C14H26F3NO2 — CID 167425102

IUPAC3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(NC(=O)C(C)(CO)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO2/c1-11(2,3)9(12(4,5)6)18-10(20)13(7,8-19)14(15,16)17/h9,19H,8H2,1-7H3,(H,18,20)
InChIKeyTVIBDECFPFHJEH-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.12
Rot. Bonds3

About 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide

3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (PubChem CID 167425102) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
PubChem CID167425102
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(NC(=O)C(C)(CO)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO2/c1-11(2,3)9(12(4,5)6)18-10(20)13(7,8-19)14(15,16)17/h9,19H,8H2,1-7H3,(H,18,20)
InChIKeyTVIBDECFPFHJEH-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (CID 167425102) is 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is CC(C)(C)C(NC(=O)C(C)(CO)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The InChIKey is TVIBDECFPFHJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-11(2,3)9(12(4,5)6)18-10(20)13(7,8-19)14(15,16)17/h9,19H,8H2,1-7H3,(H,18,20).
What are the key properties of 3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide has a molecular weight of 297.36 g/mol, XLogP of 3.12, 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-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is sourced from PubChem (CID 167425102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).