N-ethyl-4-fluorobutanamide

C6H12FNO — CID 54030971

IUPACN-ethyl-4-fluorobutanamide
SMILESCCNC(=O)CCCF
InChIInChI=1S/C6H12FNO/c1-2-8-6(9)4-3-5-7/h2-5H2,1H3,(H,8,9)
InChIKeyNQVQWDAMHWSKKT-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.87
Rot. Bonds4

About N-ethyl-4-fluorobutanamide

N-ethyl-4-fluorobutanamide (PubChem CID 54030971) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-ethyl-4-fluorobutanamide.

Molecular Properties

Compound NameN-ethyl-4-fluorobutanamide
PubChem CID54030971
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-ethyl-4-fluorobutanamide
SMILESCCNC(=O)CCCF
InChIInChI=1S/C6H12FNO/c1-2-8-6(9)4-3-5-7/h2-5H2,1H3,(H,8,9)
InChIKeyNQVQWDAMHWSKKT-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-ethyl-4-fluorobutanamide?
The IUPAC name of N-ethyl-4-fluorobutanamide (CID 54030971) is N-ethyl-4-fluorobutanamide.
What is the SMILES notation for N-ethyl-4-fluorobutanamide?
The canonical SMILES for N-ethyl-4-fluorobutanamide is CCNC(=O)CCCF.
What is the InChIKey of N-ethyl-4-fluorobutanamide?
The InChIKey is NQVQWDAMHWSKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-2-8-6(9)4-3-5-7/h2-5H2,1H3,(H,8,9).
What are the key properties of N-ethyl-4-fluorobutanamide?
N-ethyl-4-fluorobutanamide 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-ethyl-4-fluorobutanamide is sourced from PubChem (CID 54030971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).