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

C14H26F3NO — CID 167425025

IUPAC3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(NC(=O)C(C)(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-11(2,3)9(12(4,5)6)18-10(19)13(7,8)14(15,16)17/h9H,1-8H3,(H,18,19)
InChIKeyFPFCEYMFMGTUME-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.15
Rot. Bonds2

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

3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (PubChem CID 167425025) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
PubChem CID167425025
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(NC(=O)C(C)(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-11(2,3)9(12(4,5)6)18-10(19)13(7,8)14(15,16)17/h9H,1-8H3,(H,18,19)
InChIKeyFPFCEYMFMGTUME-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (CID 167425025) is 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is CC(C)(C)C(NC(=O)C(C)(C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The InChIKey is FPFCEYMFMGTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11(2,3)9(12(4,5)6)18-10(19)13(7,8)14(15,16)17/h9H,1-8H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is sourced from PubChem (CID 167425025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).