N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3NO — CID 58573548

IUPACN-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CN(CC(F)(F)F)C(C)=O)C(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-6-10(11(3,4)5)7-16(9(2)17)8-12(13,14)15/h10H,6-8H2,1-5H3
InChIKeyBXFDCMPACQOLKV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.47
Rot. Bonds4

About N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58573548) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58573548
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CN(CC(F)(F)F)C(C)=O)C(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-6-10(11(3,4)5)7-16(9(2)17)8-12(13,14)15/h10H,6-8H2,1-5H3
InChIKeyBXFDCMPACQOLKV-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-Trifluoro-3,4,5-trimethylazepan-1-yl)ethan-1-one
CID 172418726
Acetamide, N-(2-ethylhexyl)-2,2,2-trifluoro-N-methyl-
CID 587683
N,N,2,2-Tetraethyl-3-methylbutyramide
CID 3016602
1-(4-Tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 58395384
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 58573107
1-(4-Tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 58756869
2,2,2-Trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanone
CID 58901632
2,2,2-Trifluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 58901636
1-[4-(Difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone
CID 59351363
2,2,2-Trifluoro-1-(4-propan-2-ylazepan-1-yl)ethanone
CID 64201482
1-[(3R,4S)-3-ethyl-4-methylpyrrolidin-1-yl]-2,2-difluoroethanone
CID 68350271
(2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
CID 71102054

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 58573548) is N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide is CCC(CN(CC(F)(F)F)C(C)=O)C(C)(C)C.
What is the InChIKey of N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BXFDCMPACQOLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-6-10(11(3,4)5)7-16(9(2)17)8-12(13,14)15/h10H,6-8H2,1-5H3.
What are the key properties of N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58573548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).