2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C8H14F3NO2 — CID 88970157

IUPAC2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)(C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,3)6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)
InChIKeyAIYVVTOEFQXDMG-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds2

About 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 88970157) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID88970157
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)(C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,3)6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)
InChIKeyAIYVVTOEFQXDMG-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 88970157) is 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC(C)(C)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is AIYVVTOEFQXDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,3)6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 213.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 88970157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).