(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone

C16H14FNO — CID 105134655

IUPAC(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)c1ccccc1C1CCC1
InChIInChI=1S/C16H14FNO/c17-13-8-12(9-18-10-13)16(19)15-7-2-1-6-14(15)11-4-3-5-11/h1-2,6-11H,3-5H2
InChIKeyDEVHSFCNLYMKPT-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.72
Rot. Bonds3

About (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone

(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 105134655) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID105134655
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)c1ccccc1C1CCC1
InChIInChI=1S/C16H14FNO/c17-13-8-12(9-18-10-13)16(19)15-7-2-1-6-14(15)11-4-3-5-11/h1-2,6-11H,3-5H2
InChIKeyDEVHSFCNLYMKPT-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone (CID 105134655) is (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is DEVHSFCNLYMKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-13-8-12(9-18-10-13)16(19)15-7-2-1-6-14(15)11-4-3-5-11/h1-2,6-11H,3-5H2.
What are the key properties of (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone?
(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 255.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 105134655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).