3-fluoro-4-hydroxy-N,N-dimethylbutanamide

C6H12FNO2 — CID 122239592

IUPAC3-fluoro-4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(F)CO
InChIInChI=1S/C6H12FNO2/c1-8(2)6(10)3-5(7)4-9/h5,9H,3-4H2,1-2H3
InChIKeyBNGGMVDHYLFFCF-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.20
Rot. Bonds3

About 3-fluoro-4-hydroxy-N,N-dimethylbutanamide

3-fluoro-4-hydroxy-N,N-dimethylbutanamide (PubChem CID 122239592) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N,N-dimethylbutanamide
PubChem CID122239592
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name3-fluoro-4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(F)CO
InChIInChI=1S/C6H12FNO2/c1-8(2)6(10)3-5(7)4-9/h5,9H,3-4H2,1-2H3
InChIKeyBNGGMVDHYLFFCF-UHFFFAOYSA-N
XLogP-0.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-methoxy-N-methylbutanamide
CID 370774
4-hydroxy-N,N-dimethylbutanamide
CID 13000816
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
2-Fluoro-4-hydroxy-N-methoxy-N-methylbutanamide
CID 172166479
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79192046
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 79192115
4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79204250
N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204331
4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79204494
N-(2,2-difluoroethyl)-4-hydroxy-N-methylbutanamide
CID 116318545

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N,N-dimethylbutanamide?
The IUPAC name of 3-fluoro-4-hydroxy-N,N-dimethylbutanamide (CID 122239592) is 3-fluoro-4-hydroxy-N,N-dimethylbutanamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N,N-dimethylbutanamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N,N-dimethylbutanamide is CN(C)C(=O)CC(F)CO.
What is the InChIKey of 3-fluoro-4-hydroxy-N,N-dimethylbutanamide?
The InChIKey is BNGGMVDHYLFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-8(2)6(10)3-5(7)4-9/h5,9H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-4-hydroxy-N,N-dimethylbutanamide?
3-fluoro-4-hydroxy-N,N-dimethylbutanamide has a molecular weight of 149.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N,N-dimethylbutanamide is sourced from PubChem (CID 122239592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).