N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide

C10H18F3NO — CID 130757893

IUPACN-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(CC(C)(C)C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(6-9(2,3)4)14(5)8(15)10(11,12)13/h7H,6H2,1-5H3
InChIKeyZCLOWSGSXFPMOO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.83
Rot. Bonds2

About N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide

N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 130757893) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID130757893
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(CC(C)(C)C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(6-9(2,3)4)14(5)8(15)10(11,12)13/h7H,6H2,1-5H3
InChIKeyZCLOWSGSXFPMOO-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 110834695
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
CID 10587477
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide
CID 167231846
4-[2-[methyl-(2,2,2-trifluoroacetyl)amino]propoxy]benzoic acid
CID 23511923
N-tert-butyl-2,2,2-trifluoro-N-methylacetamide
CID 115190151
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
2-cyano-N,2-dimethyl-N-(4-methylpentan-2-yl)propanamide
CID 61060862
2-amino-N-butan-2-yl-N,2-dimethylbutanamide
CID 79797343
N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
CID 63679965
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide (CID 130757893) is N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide is CC(CC(C)(C)C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is ZCLOWSGSXFPMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(6-9(2,3)4)14(5)8(15)10(11,12)13/h7H,6H2,1-5H3.
What are the key properties of N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 225.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 130757893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).