N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide

C8H16FNO2 — CID 156795173

IUPACN-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)CO
InChIInChI=1S/C8H16FNO2/c1-3-6(2)8(12)10-4-7(9)5-11/h6-7,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyVRJYHGWJPCFDQS-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.48
Rot. Bonds5

About N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide

N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide (PubChem CID 156795173) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide
PubChem CID156795173
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC NameN-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)CO
InChIInChI=1S/C8H16FNO2/c1-3-6(2)8(12)10-4-7(9)5-11/h6-7,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyVRJYHGWJPCFDQS-UHFFFAOYSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Xylariamide
CID 102222778
(2R)-3-hydroxy-2-methyl-N-(2-methylpropyl)propanamide
CID 131228948
N-(3-Hydroxypropyl)butanamide
CID 15683409
4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59168914
N-(1-fluoro-3-hydroxypropyl)propanamide
CID 88784175
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
N-(2-fluoro-3-hydroxypropyl)-2,2-dimethylpropanamide
CID 117797884
N-(2-fluoro-3-hydroxy-3-methylbutyl)-2-methylpropanamide
CID 117861077
N-(2-fluoro-3-hydroxypropyl)-2-methylpropanamide
CID 117861078
N-(2-fluoro-3-hydroxypropyl)propanamide
CID 117969498
N-(2-fluoro-3-hydroxy-3-methylbutyl)butanamide
CID 145610751
2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide
CID 155052429

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide?
The IUPAC name of N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide (CID 156795173) is N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide?
The canonical SMILES for N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide is CCC(C)C(=O)NCC(F)CO.
What is the InChIKey of N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide?
The InChIKey is VRJYHGWJPCFDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-3-6(2)8(12)10-4-7(9)5-11/h6-7,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide?
N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide has a molecular weight of 177.22 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide is sourced from PubChem (CID 156795173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).