1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one

C14H17FO3 — CID 22624544

IUPAC1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one
SMILESCC(OC1CCCCO1)C(=O)c1ccccc1F
InChIInChI=1S/C14H17FO3/c1-10(18-13-8-4-5-9-17-13)14(16)11-6-2-3-7-12(11)15/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKeySAWCDFQDHVBROE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one

1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one (PubChem CID 22624544) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one
PubChem CID22624544
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one
SMILESCC(OC1CCCCO1)C(=O)c1ccccc1F
InChIInChI=1S/C14H17FO3/c1-10(18-13-8-4-5-9-17-13)14(16)11-6-2-3-7-12(11)15/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKeySAWCDFQDHVBROE-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Chakanoside I
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one (CID 22624544) is 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one is CC(OC1CCCCO1)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one?
The InChIKey is SAWCDFQDHVBROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-10(18-13-8-4-5-9-17-13)14(16)11-6-2-3-7-12(11)15/h2-3,6-7,10,13H,4-5,8-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one?
1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one has a molecular weight of 252.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(oxan-2-yloxy)propan-1-one is sourced from PubChem (CID 22624544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).