2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one

C15H19FO2 — CID 107135895

IUPAC2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one
SMILESCC(C)(C(=O)C1CCCOC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FO2/c1-15(2,12-5-7-13(16)8-6-12)14(17)11-4-3-9-18-10-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyXAVJTJRJFFLXQU-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one

2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one (PubChem CID 107135895) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one
PubChem CID107135895
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one
SMILESCC(C)(C(=O)C1CCCOC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FO2/c1-15(2,12-5-7-13(16)8-6-12)14(17)11-4-3-9-18-10-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyXAVJTJRJFFLXQU-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-oxo-4-phenyl-2-(propan-2-yl)butanoate
CID 10490780
Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate
CID 2758957
3-Phenyloxan-4-one
CID 58075264
4-Methoxy-1,6-diphenylhexan-2-one
CID 24881816
Ethyl 3-oxo-2-(2-phenylethyl)butanoate
CID 219459
Ethyl 4-(4-fluorophenyl)-3-oxobutanoate
CID 10585213
Ethyl 4-(2,6-difluorophenyl)-2-methyl-3-oxopentanoate
CID 10890932
Ethyl 2-(4-fluorophenyl)-3-oxobutanoate
CID 69173354
4-(4-Fluorophenyl)oxan-2-one
CID 102190285
ethyl (E)-2-acetyl-2-fluoro-3,5-bis(3-fluorophenyl)pent-4-enoate
CID 132489150
ethyl (E)-2-acetyl-2-fluoro-3,5-bis(4-fluorophenyl)pent-4-enoate
CID 132489154
ethyl (E)-2-acetyl-2-fluoro-3,5-diphenylpent-4-enoate
CID 132489156

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one (CID 107135895) is 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one is CC(C)(C(=O)C1CCCOC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one?
The InChIKey is XAVJTJRJFFLXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-15(2,12-5-7-13(16)8-6-12)14(17)11-4-3-9-18-10-11/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one?
2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one has a molecular weight of 250.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 107135895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).