N-ethylpropanamide tetrafluoroborate

C5H11BF4NO- — CID 88753462

IUPACN-ethylpropanamide tetrafluoroborate
SMILESCCNC(=O)CC.F[B-](F)(F)F
InChIInChI=1S/C5H11NO.BF4/c1-3-5(7)6-4-2;2-1(3,4)5/h3-4H2,1-2H3,(H,6,7);/q;-1
InChIKeyYMXBRAFIHLEQAC-UHFFFAOYSA-N
MW187.95 g/mol
LogP1.83
Rot. Bonds2

About N-ethylpropanamide tetrafluoroborate

N-ethylpropanamide tetrafluoroborate (PubChem CID 88753462) has the molecular formula C5H11BF4NO- and a molecular weight of 187.95 g/mol. Its IUPAC name is N-ethylpropanamide tetrafluoroborate.

Molecular Properties

Compound NameN-ethylpropanamide tetrafluoroborate
PubChem CID88753462
Molecular FormulaC5H11BF4NO-
Molecular Weight187.95 g/mol
Exact Mass188.09
IUPAC NameN-ethylpropanamide tetrafluoroborate
SMILESCCNC(=O)CC.F[B-](F)(F)F
InChIInChI=1S/C5H11NO.BF4/c1-3-5(7)6-4-2;2-1(3,4)5/h3-4H2,1-2H3,(H,6,7);/q;-1
InChIKeyYMXBRAFIHLEQAC-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.95
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

acetylene;N-ethylpropanamide
CID 143477358
ethanamine;ethane;N-ethylpropanamide
CID 157433415
N,N'-diethylpropanediamide
CID 4600245
N-ethylpropanamide;ethyl propanoate
CID 90984827
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769
CID 175477494
CID 175477494
CID 59970835
CID 59970835
N-ethyl-3-oxohexanamide
CID 88638325
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
N-(2-oxopropyl)propanamide
CID 23550155
N,N'-diethylnonanediamide
CID 89048639
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564

Frequently Asked Questions

What is the IUPAC name of N-ethylpropanamide tetrafluoroborate?
The IUPAC name of N-ethylpropanamide tetrafluoroborate (CID 88753462) is N-ethylpropanamide tetrafluoroborate.
What is the SMILES notation for N-ethylpropanamide tetrafluoroborate?
The canonical SMILES for N-ethylpropanamide tetrafluoroborate is CCNC(=O)CC.F[B-](F)(F)F.
What is the InChIKey of N-ethylpropanamide tetrafluoroborate?
The InChIKey is YMXBRAFIHLEQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.BF4/c1-3-5(7)6-4-2;2-1(3,4)5/h3-4H2,1-2H3,(H,6,7);/q;-1.
What are the key properties of N-ethylpropanamide tetrafluoroborate?
N-ethylpropanamide tetrafluoroborate has a molecular weight of 187.95 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropanamide tetrafluoroborate is sourced from PubChem (CID 88753462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).