4-[2-(4-fluorophenyl)ethyl]oxane

C13H17FO — CID 141096687

IUPAC4-[2-(4-fluorophenyl)ethyl]oxane
SMILESFc1ccc(CCC2CCOCC2)cc1
InChIInChI=1S/C13H17FO/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h3-6,12H,1-2,7-10H2
InChIKeyVRRBZPIIQCBDQP-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.18
Rot. Bonds3

About 4-[2-(4-fluorophenyl)ethyl]oxane

4-[2-(4-fluorophenyl)ethyl]oxane (PubChem CID 141096687) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]oxane.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]oxane
PubChem CID141096687
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name4-[2-(4-fluorophenyl)ethyl]oxane
SMILESFc1ccc(CCC2CCOCC2)cc1
InChIInChI=1S/C13H17FO/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h3-6,12H,1-2,7-10H2
InChIKeyVRRBZPIIQCBDQP-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]oxane?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]oxane (CID 141096687) is 4-[2-(4-fluorophenyl)ethyl]oxane.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]oxane?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]oxane is Fc1ccc(CCC2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]oxane?
The InChIKey is VRRBZPIIQCBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h3-6,12H,1-2,7-10H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]oxane?
4-[2-(4-fluorophenyl)ethyl]oxane has a molecular weight of 208.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]oxane is sourced from PubChem (CID 141096687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).