2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

C12H18F3NO — CID 75436415

IUPAC2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C12H18F3NO/c1-2-16(7-12(13,14)15)11(17)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3
InChIKeyRFAXMVPZKGVHHT-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.83
Rot. Bonds5

About 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75436415) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75436415
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C12H18F3NO/c1-2-16(7-12(13,14)15)11(17)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3
InChIKeyRFAXMVPZKGVHHT-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 104903332
3-cyclopentyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78858621
2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55011705
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
2-acetamido-N-ethyl-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107769350
(2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945104
N-ethyl-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55048264
2-cyclohexyloxy-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78888415
N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 75496726
3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 82002685
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (CID 75436415) is 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)C(C1CC1)C1CC1.
What is the InChIKey of 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RFAXMVPZKGVHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-2-16(7-12(13,14)15)11(17)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3.
What are the key properties of 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 249.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75436415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).