2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one

C11H14FNO — CID 114963530

IUPAC2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
SMILESCCC(CC)C(=O)c1cncc(F)c1
InChIInChI=1S/C11H14FNO/c1-3-8(4-2)11(14)9-5-10(12)7-13-6-9/h5-8H,3-4H2,1-2H3
InChIKeyBUXMJJCNPXALSU-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.84
Rot. Bonds4

About 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one

2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one (PubChem CID 114963530) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
PubChem CID114963530
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
SMILESCCC(CC)C(=O)c1cncc(F)c1
InChIInChI=1S/C11H14FNO/c1-3-8(4-2)11(14)9-5-10(12)7-13-6-9/h5-8H,3-4H2,1-2H3
InChIKeyBUXMJJCNPXALSU-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
CID 105125350
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
CID 116594166
5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
CID 116613600
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
CID 116709222
1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
CID 116708326
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 65136460
2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 115755678
pent-1-en-3-yl 5-fluoropyridine-3-carboxylate
CID 86782372
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
(Z)-2-ethyl-1-(5-fluoro-3-pyridinyl)but-2-en-1-one
CID 103447512
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one?
The IUPAC name of 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one (CID 114963530) is 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one is CCC(CC)C(=O)c1cncc(F)c1.
What is the InChIKey of 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one?
The InChIKey is BUXMJJCNPXALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-8(4-2)11(14)9-5-10(12)7-13-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one?
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one has a molecular weight of 195.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one is sourced from PubChem (CID 114963530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).