2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide

C10H18F3NO — CID 115190376

IUPAC2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
SMILESCC(C)CC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)5-9(3,4)6-14-8(15)10(11,12)13/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyJDBDSPHBDUVGSE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.74
Rot. Bonds4

About 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide

2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide (PubChem CID 115190376) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
PubChem CID115190376
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
SMILESCC(C)CC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)5-9(3,4)6-14-8(15)10(11,12)13/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyJDBDSPHBDUVGSE-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide
CID 119820265
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115142651
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253
4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
tert-butyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115141799
ethyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115142114
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
N-[2,2-dimethyl-3-(methylsulfanylmethoxy)propyl]-2,2,2-trifluoroacetamide
CID 170371749
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide (CID 115190376) is 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide is CC(C)CC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide?
The InChIKey is JDBDSPHBDUVGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)5-9(3,4)6-14-8(15)10(11,12)13/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide?
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide is sourced from PubChem (CID 115190376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).