N,N-diethyl-3-fluoro-4-hydroxybutanamide

C8H16FNO2 — CID 122239617

IUPACN,N-diethyl-3-fluoro-4-hydroxybutanamide
SMILESCCN(CC)C(=O)CC(F)CO
InChIInChI=1S/C8H16FNO2/c1-3-10(4-2)8(12)5-7(9)6-11/h7,11H,3-6H2,1-2H3
InChIKeyQWRJLLDAOMEMQO-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.58
Rot. Bonds5

About N,N-diethyl-3-fluoro-4-hydroxybutanamide

N,N-diethyl-3-fluoro-4-hydroxybutanamide (PubChem CID 122239617) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-4-hydroxybutanamide.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-4-hydroxybutanamide
PubChem CID122239617
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC NameN,N-diethyl-3-fluoro-4-hydroxybutanamide
SMILESCCN(CC)C(=O)CC(F)CO
InChIInChI=1S/C8H16FNO2/c1-3-10(4-2)8(12)5-7(9)6-11/h7,11H,3-6H2,1-2H3
InChIKeyQWRJLLDAOMEMQO-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butanamide, 4-hydroxy-N,N-bis(2-hydroxyethyl)-
CID 105387
Butanamide, 4-hydroxy-N-(2-hydroxyethyl)-N-methyl-
CID 106524
N,N-Dihexyl-4-hydroxybutanamide
CID 71407073
1-(2-Hydroxypyrrolidin-1-yl)butan-1-one
CID 134987996
4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-(2-fluorocyclopropyl)-4-hydroxy-N-propylbutanamide
CID 58375868
N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
CID 87922265
(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543133
(2R)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543379
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79192046
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 79192115
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79192199

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-4-hydroxybutanamide?
The IUPAC name of N,N-diethyl-3-fluoro-4-hydroxybutanamide (CID 122239617) is N,N-diethyl-3-fluoro-4-hydroxybutanamide.
What is the SMILES notation for N,N-diethyl-3-fluoro-4-hydroxybutanamide?
The canonical SMILES for N,N-diethyl-3-fluoro-4-hydroxybutanamide is CCN(CC)C(=O)CC(F)CO.
What is the InChIKey of N,N-diethyl-3-fluoro-4-hydroxybutanamide?
The InChIKey is QWRJLLDAOMEMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-3-10(4-2)8(12)5-7(9)6-11/h7,11H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-3-fluoro-4-hydroxybutanamide?
N,N-diethyl-3-fluoro-4-hydroxybutanamide has a molecular weight of 177.22 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-4-hydroxybutanamide is sourced from PubChem (CID 122239617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).