2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene

C15H21FO2 — CID 134430201

IUPAC2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene
SMILESCC(F)Oc1ccc(C(C)C)cc1OC1CCC1
InChIInChI=1S/C15H21FO2/c1-10(2)12-7-8-14(17-11(3)16)15(9-12)18-13-5-4-6-13/h7-11,13H,4-6H2,1-3H3
InChIKeyBWSXFKPKUNQRGJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP4.44
Rot. Bonds5

About 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene

2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene (PubChem CID 134430201) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene
PubChem CID134430201
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene
SMILESCC(F)Oc1ccc(C(C)C)cc1OC1CCC1
InChIInChI=1S/C15H21FO2/c1-10(2)12-7-8-14(17-11(3)16)15(9-12)18-13-5-4-6-13/h7-11,13H,4-6H2,1-3H3
InChIKeyBWSXFKPKUNQRGJ-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene?
The IUPAC name of 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene (CID 134430201) is 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene.
What is the SMILES notation for 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene?
The canonical SMILES for 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene is CC(F)Oc1ccc(C(C)C)cc1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene?
The InChIKey is BWSXFKPKUNQRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-10(2)12-7-8-14(17-11(3)16)15(9-12)18-13-5-4-6-13/h7-11,13H,4-6H2,1-3H3.
What are the key properties of 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene?
2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene has a molecular weight of 252.33 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1-(1-fluoroethoxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 134430201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).