1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one

C17H22FNO — CID 161316571

IUPAC1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc[nH]c1=O.CC(C)c1ccccc1F
InChIInChI=1S/C9H11F.C8H11NO/c1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-4-3-5-9-8(7)10/h3-7H,1-2H3;3-6H,1-2H3,(H,9,10)
InChIKeyVJOOVZWOOYSVJS-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.45
Rot. Bonds2

About 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one

1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one (PubChem CID 161316571) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one
PubChem CID161316571
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc[nH]c1=O.CC(C)c1ccccc1F
InChIInChI=1S/C9H11F.C8H11NO/c1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-4-3-5-9-8(7)10/h3-7H,1-2H3;3-6H,1-2H3,(H,9,10)
InChIKeyVJOOVZWOOYSVJS-UHFFFAOYSA-N
XLogP4.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159076813
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3-hexan-2-yl-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one (CID 161316571) is 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc[nH]c1=O.CC(C)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is VJOOVZWOOYSVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C8H11NO/c1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-4-3-5-9-8(7)10/h3-7H,1-2H3;3-6H,1-2H3,(H,9,10).
What are the key properties of 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one?
1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 275.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 161316571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).