1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one

C15H19FO3 — CID 18683583

IUPAC1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one
SMILESCCCC1(CCC(=O)c2ccc(F)cc2)OCCO1
InChIInChI=1S/C15H19FO3/c1-2-8-15(18-10-11-19-15)9-7-14(17)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyVIOOGJKPNVZYPI-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.33
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one

1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one (PubChem CID 18683583) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one
PubChem CID18683583
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one
SMILESCCCC1(CCC(=O)c2ccc(F)cc2)OCCO1
InChIInChI=1S/C15H19FO3/c1-2-8-15(18-10-11-19-15)9-7-14(17)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyVIOOGJKPNVZYPI-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one (CID 18683583) is 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one is CCCC1(CCC(=O)c2ccc(F)cc2)OCCO1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one?
The InChIKey is VIOOGJKPNVZYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-2-8-15(18-10-11-19-15)9-7-14(17)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one?
1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one has a molecular weight of 266.31 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one is sourced from PubChem (CID 18683583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).