N-(1-fluoro-3-hydroxypropyl)propanamide

C6H12FNO2 — CID 88784175

IUPACN-(1-fluoro-3-hydroxypropyl)propanamide
SMILESCCC(=O)NC(F)CCO
InChIInChI=1S/C6H12FNO2/c1-2-6(10)8-5(7)3-4-9/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyYBWUUHMPRZJYMS-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.19
Rot. Bonds4

About N-(1-fluoro-3-hydroxypropyl)propanamide

N-(1-fluoro-3-hydroxypropyl)propanamide (PubChem CID 88784175) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is N-(1-fluoro-3-hydroxypropyl)propanamide.

Molecular Properties

Compound NameN-(1-fluoro-3-hydroxypropyl)propanamide
PubChem CID88784175
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC NameN-(1-fluoro-3-hydroxypropyl)propanamide
SMILESCCC(=O)NC(F)CCO
InChIInChI=1S/C6H12FNO2/c1-2-6(10)8-5(7)3-4-9/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyYBWUUHMPRZJYMS-UHFFFAOYSA-N
XLogP0.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-3-hydroxypropyl)propanamide?
The IUPAC name of N-(1-fluoro-3-hydroxypropyl)propanamide (CID 88784175) is N-(1-fluoro-3-hydroxypropyl)propanamide.
What is the SMILES notation for N-(1-fluoro-3-hydroxypropyl)propanamide?
The canonical SMILES for N-(1-fluoro-3-hydroxypropyl)propanamide is CCC(=O)NC(F)CCO.
What is the InChIKey of N-(1-fluoro-3-hydroxypropyl)propanamide?
The InChIKey is YBWUUHMPRZJYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-2-6(10)8-5(7)3-4-9/h5,9H,2-4H2,1H3,(H,8,10).
What are the key properties of N-(1-fluoro-3-hydroxypropyl)propanamide?
N-(1-fluoro-3-hydroxypropyl)propanamide has a molecular weight of 149.16 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-3-hydroxypropyl)propanamide is sourced from PubChem (CID 88784175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).