3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide

C10H18F3NO2 — CID 66180903

IUPAC3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-7(2)4-9(3,16)6-14-8(15)5-10(11,12)13/h7,16H,4-6H2,1-3H3,(H,14,15)
InChIKeyPZQZDFTVPFBVCJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds5

About 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide

3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide (PubChem CID 66180903) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
PubChem CID66180903
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-7(2)4-9(3,16)6-14-8(15)5-10(11,12)13/h7,16H,4-6H2,1-3H3,(H,14,15)
InChIKeyPZQZDFTVPFBVCJ-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
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-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide (CID 66180903) is 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide is CC(C)CC(C)(O)CNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The InChIKey is PZQZDFTVPFBVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(2)4-9(3,16)6-14-8(15)5-10(11,12)13/h7,16H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide is sourced from PubChem (CID 66180903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).