N-(4-fluorobutyl)-N-formylacetamide

C7H12FNO2 — CID 149204598

IUPACN-(4-fluorobutyl)-N-formylacetamide
SMILESCC(=O)N(C=O)CCCCF
InChIInChI=1S/C7H12FNO2/c1-7(11)9(6-10)5-3-2-4-8/h6H,2-5H2,1H3
InChIKeyXFIXUJBOEATEDY-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.74
Rot. Bonds5

About N-(4-fluorobutyl)-N-formylacetamide

N-(4-fluorobutyl)-N-formylacetamide (PubChem CID 149204598) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is N-(4-fluorobutyl)-N-formylacetamide.

Molecular Properties

Compound NameN-(4-fluorobutyl)-N-formylacetamide
PubChem CID149204598
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC NameN-(4-fluorobutyl)-N-formylacetamide
SMILESCC(=O)N(C=O)CCCCF
InChIInChI=1S/C7H12FNO2/c1-7(11)9(6-10)5-3-2-4-8/h6H,2-5H2,1H3
InChIKeyXFIXUJBOEATEDY-UHFFFAOYSA-N
XLogP0.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorobutyl)-N-formylacetamide?
The IUPAC name of N-(4-fluorobutyl)-N-formylacetamide (CID 149204598) is N-(4-fluorobutyl)-N-formylacetamide.
What is the SMILES notation for N-(4-fluorobutyl)-N-formylacetamide?
The canonical SMILES for N-(4-fluorobutyl)-N-formylacetamide is CC(=O)N(C=O)CCCCF.
What is the InChIKey of N-(4-fluorobutyl)-N-formylacetamide?
The InChIKey is XFIXUJBOEATEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-7(11)9(6-10)5-3-2-4-8/h6H,2-5H2,1H3.
What are the key properties of N-(4-fluorobutyl)-N-formylacetamide?
N-(4-fluorobutyl)-N-formylacetamide has a molecular weight of 161.18 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobutyl)-N-formylacetamide is sourced from PubChem (CID 149204598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).