N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C9H10F6N2O — CID 103309842

IUPACN-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCN(CCC#N)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6N2O/c1-2-17(5-3-4-16)7(18)6(8(10,11)12)9(13,14)15/h6H,2-3,5H2,1H3
InChIKeyLTNAEDAOVKSLTL-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.49
Rot. Bonds4

About N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309842) has the molecular formula C9H10F6N2O and a molecular weight of 276.18 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309842
Molecular FormulaC9H10F6N2O
Molecular Weight276.18 g/mol
Exact Mass276.07
IUPAC NameN-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCN(CCC#N)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6N2O/c1-2-17(5-3-4-16)7(18)6(8(10,11)12)9(13,14)15/h6H,2-3,5H2,1H3
InChIKeyLTNAEDAOVKSLTL-UHFFFAOYSA-N
XLogP2.49
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
CID 79012369
2-cyanoethyl(ethyl)carbamic acid
CID 18786016
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310813
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
N-(2-cyanoethyl)-N-ethyl-4-(trifluoromethyl)benzamide
CID 54992475
(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
CID 97329844
2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide
CID 107471659
N,N-bis(2-cyanoethyl)-2-methylpentanamide
CID 4628054
N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310045
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900827

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309842) is N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CCN(CCC#N)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is LTNAEDAOVKSLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2O/c1-2-17(5-3-4-16)7(18)6(8(10,11)12)9(13,14)15/h6H,2-3,5H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 276.18 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).