N-(2-fluoroethyl)butanamide

C6H12FNO — CID 59383104

IUPACN-(2-fluoroethyl)butanamide
SMILESCCCC(=O)NCCF
InChIInChI=1S/C6H12FNO/c1-2-3-6(9)8-5-4-7/h2-5H2,1H3,(H,8,9)
InChIKeyNRBPYOZIELTQQH-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.87
Rot. Bonds4

About N-(2-fluoroethyl)butanamide

N-(2-fluoroethyl)butanamide (PubChem CID 59383104) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-(2-fluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)butanamide
PubChem CID59383104
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-(2-fluoroethyl)butanamide
SMILESCCCC(=O)NCCF
InChIInChI=1S/C6H12FNO/c1-2-3-6(9)8-5-4-7/h2-5H2,1H3,(H,8,9)
InChIKeyNRBPYOZIELTQQH-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)butanamide?
The IUPAC name of N-(2-fluoroethyl)butanamide (CID 59383104) is N-(2-fluoroethyl)butanamide.
What is the SMILES notation for N-(2-fluoroethyl)butanamide?
The canonical SMILES for N-(2-fluoroethyl)butanamide is CCCC(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)butanamide?
The InChIKey is NRBPYOZIELTQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-2-3-6(9)8-5-4-7/h2-5H2,1H3,(H,8,9).
What are the key properties of N-(2-fluoroethyl)butanamide?
N-(2-fluoroethyl)butanamide 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-(2-fluoroethyl)butanamide is sourced from PubChem (CID 59383104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).