5-butyl-2-(4-fluorophenyl)oxane

C15H21FO — CID 21247644

IUPAC5-butyl-2-(4-fluorophenyl)oxane
SMILESCCCCC1CCC(c2ccc(F)cc2)OC1
InChIInChI=1S/C15H21FO/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3
InChIKeyJMHVNRYMYUGABQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.48
Rot. Bonds4

About 5-butyl-2-(4-fluorophenyl)oxane

5-butyl-2-(4-fluorophenyl)oxane (PubChem CID 21247644) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 5-butyl-2-(4-fluorophenyl)oxane.

Molecular Properties

Compound Name5-butyl-2-(4-fluorophenyl)oxane
PubChem CID21247644
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name5-butyl-2-(4-fluorophenyl)oxane
SMILESCCCCC1CCC(c2ccc(F)cc2)OC1
InChIInChI=1S/C15H21FO/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3
InChIKeyJMHVNRYMYUGABQ-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-(4-butylcyclohexyl)ethyl]-2-(4-fluorophenyl)-1,3-dioxane
CID 19738699
5-butyl-2-(4-propoxyphenyl)oxane
CID 21247833
2-(4-chlorophenyl)-5-octyloxane
CID 21247604
2-(4-heptylphenyl)-5-hexyloxane
CID 21247717
5-heptyl-2-(4-heptylphenyl)oxane
CID 21247546
2-(4-ethoxyphenyl)-5-octyloxane
CID 21247751
5-[2-(4-decylcyclohexyl)ethyl]-2-(4-fluorophenyl)-1,3-dioxane
CID 70365347
4-(5-pentyloxan-2-yl)benzoyl chloride
CID 21247967
2-[4-(4-butylcyclohexyl)phenyl]-5-propyl-1,4-dioxane
CID 57286357
2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane
CID 58620441
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-fluorophenyl)oxane?
The IUPAC name of 5-butyl-2-(4-fluorophenyl)oxane (CID 21247644) is 5-butyl-2-(4-fluorophenyl)oxane.
What is the SMILES notation for 5-butyl-2-(4-fluorophenyl)oxane?
The canonical SMILES for 5-butyl-2-(4-fluorophenyl)oxane is CCCCC1CCC(c2ccc(F)cc2)OC1.
What is the InChIKey of 5-butyl-2-(4-fluorophenyl)oxane?
The InChIKey is JMHVNRYMYUGABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3.
What are the key properties of 5-butyl-2-(4-fluorophenyl)oxane?
5-butyl-2-(4-fluorophenyl)oxane has a molecular weight of 236.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-fluorophenyl)oxane is sourced from PubChem (CID 21247644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).