N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide

C9H18FNO3 — CID 122239622

IUPACN,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide
SMILESCCN(CC)C(=O)CC(F)(CO)CO
InChIInChI=1S/C9H18FNO3/c1-3-11(4-2)8(14)5-9(10,6-12)7-13/h12-13H,3-7H2,1-2H3
InChIKeyFMSKVHHTADMMCS-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.06
Rot. Bonds6

About N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide

N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide (PubChem CID 122239622) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide
PubChem CID122239622
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC NameN,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide
SMILESCCN(CC)C(=O)CC(F)(CO)CO
InChIInChI=1S/C9H18FNO3/c1-3-11(4-2)8(14)5-9(10,6-12)7-13/h12-13H,3-7H2,1-2H3
InChIKeyFMSKVHHTADMMCS-UHFFFAOYSA-N
XLogP-0.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid
CID 118123540
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CID 124647789
methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61010157
N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226531
N,N-diethyl-4-(trifluoromethyl)hexanamide
CID 87943140
3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
CID 61235446
N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721266
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide?
The IUPAC name of N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide (CID 122239622) is N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide.
What is the SMILES notation for N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide?
The canonical SMILES for N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide is CCN(CC)C(=O)CC(F)(CO)CO.
What is the InChIKey of N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide?
The InChIKey is FMSKVHHTADMMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-3-11(4-2)8(14)5-9(10,6-12)7-13/h12-13H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide?
N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide has a molecular weight of 207.24 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide is sourced from PubChem (CID 122239622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).