3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide

C7H14FNO3 — CID 122239597

IUPAC3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(F)(CO)CO
InChIInChI=1S/C7H14FNO3/c1-9(2)6(12)3-7(8,4-10)5-11/h10-11H,3-5H2,1-2H3
InChIKeyZYUGXNRXUDQVLZ-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.84
Rot. Bonds4

About 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide

3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide (PubChem CID 122239597) has the molecular formula C7H14FNO3 and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide
PubChem CID122239597
Molecular FormulaC7H14FNO3
Molecular Weight179.19 g/mol
Exact Mass179.10
IUPAC Name3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(F)(CO)CO
InChIInChI=1S/C7H14FNO3/c1-9(2)6(12)3-7(8,4-10)5-11/h10-11H,3-5H2,1-2H3
InChIKeyZYUGXNRXUDQVLZ-UHFFFAOYSA-N
XLogP-0.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N,N-dimethylbutanamide
CID 13000816
(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543133
(2R)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543379
3-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 122239592
N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide
CID 122239622
(3R)-3-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 129562633
(3S)-3-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 129562635
4-hydroxy-N,N,2-trimethylbutanamide
CID 13000817
(2S)-4-hydroxy-N,N,2-trimethylbutanamide
CID 57998955
(2R)-4-hydroxy-N,N,2-trimethylbutanamide
CID 57999016
(3R)-4-hydroxy-N,N,3-trimethylbutanamide
CID 58080124
(2S,3R)-4-hydroxy-N,N,2,3-tetramethylbutanamide
CID 59103813

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide?
The IUPAC name of 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide (CID 122239597) is 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide?
The canonical SMILES for 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide is CN(C)C(=O)CC(F)(CO)CO.
What is the InChIKey of 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide?
The InChIKey is ZYUGXNRXUDQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3/c1-9(2)6(12)3-7(8,4-10)5-11/h10-11H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide?
3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide has a molecular weight of 179.19 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide is sourced from PubChem (CID 122239597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).