N-(4-fluorobutyl)acetamide

C6H12FNO — CID 9757

IUPACN-(4-fluorobutyl)acetamide
SMILESCC(=O)NCCCCF
InChIInChI=1S/C6H12FNO/c1-6(9)8-5-3-2-4-7/h2-5H2,1H3,(H,8,9)
InChIKeyOSYIGZSQARXLDX-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.87
Rot. Bonds4

About N-(4-fluorobutyl)acetamide

N-(4-fluorobutyl)acetamide (PubChem CID 9757) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-(4-fluorobutyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorobutyl)acetamide
PubChem CID9757
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-(4-fluorobutyl)acetamide
SMILESCC(=O)NCCCCF
InChIInChI=1S/C6H12FNO/c1-6(9)8-5-3-2-4-7/h2-5H2,1H3,(H,8,9)
InChIKeyOSYIGZSQARXLDX-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylacetamide
CID 12253
N-Acetylputrescine
CID 122356
N-Propylacetamide
CID 21407
N-Butylacetamide
CID 61265
N-Ethylpropionamide
CID 521324
N-Isobutylacetamide
CID 137071
N-Isopentylacetamide
CID 98643
N-acetylputrescinium
CID 25243990
Acetamide, N-pentyl-
CID 221432
n-(2-Methylbutyl)acetamide
CID 291446
N-sec-Butylacetamide
CID 347477
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorobutyl)acetamide?
The IUPAC name of N-(4-fluorobutyl)acetamide (CID 9757) is N-(4-fluorobutyl)acetamide.
What is the SMILES notation for N-(4-fluorobutyl)acetamide?
The canonical SMILES for N-(4-fluorobutyl)acetamide is CC(=O)NCCCCF.
What is the InChIKey of N-(4-fluorobutyl)acetamide?
The InChIKey is OSYIGZSQARXLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(9)8-5-3-2-4-7/h2-5H2,1H3,(H,8,9).
What are the key properties of N-(4-fluorobutyl)acetamide?
N-(4-fluorobutyl)acetamide has a molecular weight of 133.17 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobutyl)acetamide is sourced from PubChem (CID 9757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).