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

C13H17FO — CID 149055517

IUPAC4-(4-ethyl-2-fluorophenyl)oxane
SMILESCCc1ccc(C2CCOCC2)c(F)c1
InChIInChI=1S/C13H17FO/c1-2-10-3-4-12(13(14)9-10)11-5-7-15-8-6-11/h3-4,9,11H,2,5-8H2,1H3
InChIKeyQKQQWMPOIBNSRI-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.28
Rot. Bonds2

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

4-(4-ethyl-2-fluorophenyl)oxane (PubChem CID 149055517) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-(4-ethyl-2-fluorophenyl)oxane.

Molecular Properties

Compound Name4-(4-ethyl-2-fluorophenyl)oxane
PubChem CID149055517
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name4-(4-ethyl-2-fluorophenyl)oxane
SMILESCCc1ccc(C2CCOCC2)c(F)c1
InChIInChI=1S/C13H17FO/c1-2-10-3-4-12(13(14)9-10)11-5-7-15-8-6-11/h3-4,9,11H,2,5-8H2,1H3
InChIKeyQKQQWMPOIBNSRI-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-fluorophenyl)oxane?
The IUPAC name of 4-(4-ethyl-2-fluorophenyl)oxane (CID 149055517) is 4-(4-ethyl-2-fluorophenyl)oxane.
What is the SMILES notation for 4-(4-ethyl-2-fluorophenyl)oxane?
The canonical SMILES for 4-(4-ethyl-2-fluorophenyl)oxane is CCc1ccc(C2CCOCC2)c(F)c1.
What is the InChIKey of 4-(4-ethyl-2-fluorophenyl)oxane?
The InChIKey is QKQQWMPOIBNSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-2-10-3-4-12(13(14)9-10)11-5-7-15-8-6-11/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of 4-(4-ethyl-2-fluorophenyl)oxane?
4-(4-ethyl-2-fluorophenyl)oxane has a molecular weight of 208.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-fluorophenyl)oxane is sourced from PubChem (CID 149055517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).