N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide

C8H14F3N3O2 — CID 66427817

IUPACN'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide
SMILESCCNC(=O)CC(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C8H14F3N3O2/c1-2-13-6(15)3-5(7(12)16)14-4-8(9,10)11/h5,14H,2-4H2,1H3,(H2,12,16)(H,13,15)
InChIKeyLWPMXASSJGCUMF-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.48
Rot. Bonds6

About N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide

N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide (PubChem CID 66427817) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide.

Molecular Properties

Compound NameN'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide
PubChem CID66427817
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC NameN'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide
SMILESCCNC(=O)CC(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C8H14F3N3O2/c1-2-13-6(15)3-5(7(12)16)14-4-8(9,10)11/h5,14H,2-4H2,1H3,(H2,12,16)(H,13,15)
InChIKeyLWPMXASSJGCUMF-UHFFFAOYSA-N
XLogP-0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide
CID 104711195
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide
CID 66429516
3-fluoro-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 174624224
N'-(2,2,2-trifluoroethyl)propanediamide
CID 87594985
N,N'-diethylpropanediamide
CID 4600245
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091
2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
CID 55144695
(2S)-2-(2,2,2-trifluoroethylamino)pentanedioic acid
CID 118468848
3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide
CID 106276342
N-ethyl-4-hydroxy-3-methylpent-4-enamide
CID 122658995
ethyl 3-azido-2-(2,2,2-trifluoroethylamino)propanoate
CID 66427319

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide?
The IUPAC name of N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide (CID 66427817) is N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide.
What is the SMILES notation for N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide?
The canonical SMILES for N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide is CCNC(=O)CC(NCC(F)(F)F)C(N)=O.
What is the InChIKey of N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide?
The InChIKey is LWPMXASSJGCUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-2-13-6(15)3-5(7(12)16)14-4-8(9,10)11/h5,14H,2-4H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide?
N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide has a molecular weight of 241.21 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide is sourced from PubChem (CID 66427817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).