1-(5-fluoro-3-pyridinyl)hexan-3-one

C11H14FNO — CID 64520740

IUPAC1-(5-fluoro-3-pyridinyl)hexan-3-one
SMILESCCCC(=O)CCc1cncc(F)c1
InChIInChI=1S/C11H14FNO/c1-2-3-11(14)5-4-9-6-10(12)8-13-7-9/h6-8H,2-5H2,1H3
InChIKeyRPBBJQWCKHAMKR-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.52
Rot. Bonds5

About 1-(5-fluoro-3-pyridinyl)hexan-3-one

1-(5-fluoro-3-pyridinyl)hexan-3-one (PubChem CID 64520740) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)hexan-3-one.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)hexan-3-one
PubChem CID64520740
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(5-fluoro-3-pyridinyl)hexan-3-one
SMILESCCCC(=O)CCc1cncc(F)c1
InChIInChI=1S/C11H14FNO/c1-2-3-11(14)5-4-9-6-10(12)8-13-7-9/h6-8H,2-5H2,1H3
InChIKeyRPBBJQWCKHAMKR-UHFFFAOYSA-N
XLogP2.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)hexan-3-one?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)hexan-3-one (CID 64520740) is 1-(5-fluoro-3-pyridinyl)hexan-3-one.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)hexan-3-one?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)hexan-3-one is CCCC(=O)CCc1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)hexan-3-one?
The InChIKey is RPBBJQWCKHAMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-3-11(14)5-4-9-6-10(12)8-13-7-9/h6-8H,2-5H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)hexan-3-one?
1-(5-fluoro-3-pyridinyl)hexan-3-one has a molecular weight of 195.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)hexan-3-one is sourced from PubChem (CID 64520740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).