N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide

C8H15F3N2O — CID 103776091

IUPACN-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
SMILESCCNC(=O)CNC(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-12-7(14)5-13-6(2)4-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyBRXQBFCBUAUKLW-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.05
Rot. Bonds5

About N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide

N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide (PubChem CID 103776091) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
PubChem CID103776091
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
SMILESCCNC(=O)CNC(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-12-7(14)5-13-6(2)4-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyBRXQBFCBUAUKLW-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-ethyl-2-(pentan-3-ylamino)acetamide
CID 28566551
2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106176989
2-(1-cyclobutylpropan-2-ylamino)-N-ethylacetamide
CID 115707078
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 60695542
N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 104854905
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64604847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide?
The IUPAC name of N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide (CID 103776091) is N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide.
What is the SMILES notation for N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide?
The canonical SMILES for N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide is CCNC(=O)CNC(C)CC(F)(F)F.
What is the InChIKey of N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide?
The InChIKey is BRXQBFCBUAUKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-3-12-7(14)5-13-6(2)4-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide?
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide has a molecular weight of 212.21 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide is sourced from PubChem (CID 103776091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).