N,N-diethyl-2-fluoro-3-oxobutanamide

C8H14FNO2 — CID 22465715

IUPACN,N-diethyl-2-fluoro-3-oxobutanamide
SMILESCCN(CC)C(=O)C(F)C(C)=O
InChIInChI=1S/C8H14FNO2/c1-4-10(5-2)8(12)7(9)6(3)11/h7H,4-5H2,1-3H3
InChIKeyPYFOYALCVZJDTO-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.78
Rot. Bonds4

About N,N-diethyl-2-fluoro-3-oxobutanamide

N,N-diethyl-2-fluoro-3-oxobutanamide (PubChem CID 22465715) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-3-oxobutanamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-3-oxobutanamide
PubChem CID22465715
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC NameN,N-diethyl-2-fluoro-3-oxobutanamide
SMILESCCN(CC)C(=O)C(F)C(C)=O
InChIInChI=1S/C8H14FNO2/c1-4-10(5-2)8(12)7(9)6(3)11/h7H,4-5H2,1-3H3
InChIKeyPYFOYALCVZJDTO-UHFFFAOYSA-N
XLogP0.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-3-oxobutanamide?
The IUPAC name of N,N-diethyl-2-fluoro-3-oxobutanamide (CID 22465715) is N,N-diethyl-2-fluoro-3-oxobutanamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-3-oxobutanamide?
The canonical SMILES for N,N-diethyl-2-fluoro-3-oxobutanamide is CCN(CC)C(=O)C(F)C(C)=O.
What is the InChIKey of N,N-diethyl-2-fluoro-3-oxobutanamide?
The InChIKey is PYFOYALCVZJDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-4-10(5-2)8(12)7(9)6(3)11/h7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-fluoro-3-oxobutanamide?
N,N-diethyl-2-fluoro-3-oxobutanamide has a molecular weight of 175.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-3-oxobutanamide is sourced from PubChem (CID 22465715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).