1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one

C15H14FNO — CID 104737833

IUPAC1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccncc1F)c1ccccc1
InChIInChI=1S/C15H14FNO/c1-15(2,11-6-4-3-5-7-11)14(18)12-8-9-17-10-13(12)16/h3-10H,1-2H3
InChIKeyKVCXGUUJIJHXAM-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.38
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one

1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one (PubChem CID 104737833) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one
PubChem CID104737833
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccncc1F)c1ccccc1
InChIInChI=1S/C15H14FNO/c1-15(2,11-6-4-3-5-7-11)14(18)12-8-9-17-10-13(12)16/h3-10H,1-2H3
InChIKeyKVCXGUUJIJHXAM-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one (CID 104737833) is 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)c1ccncc1F)c1ccccc1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is KVCXGUUJIJHXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-15(2,11-6-4-3-5-7-11)14(18)12-8-9-17-10-13(12)16/h3-10H,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one?
1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 243.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 104737833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).