1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene

C13H15F3O2 — CID 75442893

IUPAC1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccccc1OC1CCCC1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)9-17-11-7-3-4-8-12(11)18-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyOOXWQRPPTKROAN-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.95
Rot. Bonds4

About 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene

1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 75442893) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID75442893
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccccc1OC1CCCC1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)9-17-11-7-3-4-8-12(11)18-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyOOXWQRPPTKROAN-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene (CID 75442893) is 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene is FC(F)(F)COc1ccccc1OC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is OOXWQRPPTKROAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)9-17-11-7-3-4-8-12(11)18-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene?
1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 260.25 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 75442893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).