1-fluoro-2-(2-propoxyethyl)benzene

C11H15FO — CID 91539141

IUPAC1-fluoro-2-(2-propoxyethyl)benzene
SMILESCCCOCCc1ccccc1F
InChIInChI=1S/C11H15FO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3
InChIKeyPSYITJYJIOSSQI-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.79
Rot. Bonds5

About 1-fluoro-2-(2-propoxyethyl)benzene

1-fluoro-2-(2-propoxyethyl)benzene (PubChem CID 91539141) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-fluoro-2-(2-propoxyethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-propoxyethyl)benzene
PubChem CID91539141
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name1-fluoro-2-(2-propoxyethyl)benzene
SMILESCCCOCCc1ccccc1F
InChIInChI=1S/C11H15FO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3
InChIKeyPSYITJYJIOSSQI-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-propoxyethyl)benzene?
The IUPAC name of 1-fluoro-2-(2-propoxyethyl)benzene (CID 91539141) is 1-fluoro-2-(2-propoxyethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(2-propoxyethyl)benzene?
The canonical SMILES for 1-fluoro-2-(2-propoxyethyl)benzene is CCCOCCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(2-propoxyethyl)benzene?
The InChIKey is PSYITJYJIOSSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-fluoro-2-(2-propoxyethyl)benzene?
1-fluoro-2-(2-propoxyethyl)benzene has a molecular weight of 182.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-propoxyethyl)benzene is sourced from PubChem (CID 91539141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).