3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one

C10H10FNO — CID 83128852

IUPAC3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one
SMILESCC1C(=O)CC1c1ccc(F)cn1
InChIInChI=1S/C10H10FNO/c1-6-8(4-10(6)13)9-3-2-7(11)5-12-9/h2-3,5-6,8H,4H2,1H3
InChIKeyLQFMUMMPKKGORL-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.91
Rot. Bonds1

About 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one

3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one (PubChem CID 83128852) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one
PubChem CID83128852
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one
SMILESCC1C(=O)CC1c1ccc(F)cn1
InChIInChI=1S/C10H10FNO/c1-6-8(4-10(6)13)9-3-2-7(11)5-12-9/h2-3,5-6,8H,4H2,1H3
InChIKeyLQFMUMMPKKGORL-UHFFFAOYSA-N
XLogP1.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one (CID 83128852) is 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one is CC1C(=O)CC1c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one?
The InChIKey is LQFMUMMPKKGORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6-8(4-10(6)13)9-3-2-7(11)5-12-9/h2-3,5-6,8H,4H2,1H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one?
3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one has a molecular weight of 179.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one is sourced from PubChem (CID 83128852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).