2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane

C12H19F3O3 — CID 142540018

IUPAC2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane
SMILESFC(F)(F)OC1CC(OCCC2CCCCO2)C1
InChIInChI=1S/C12H19F3O3/c13-12(14,15)18-11-7-10(8-11)17-6-4-9-3-1-2-5-16-9/h9-11H,1-8H2
InChIKeyNSGBZTOGGQPNCB-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.03
Rot. Bonds5

About 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane

2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane (PubChem CID 142540018) has the molecular formula C12H19F3O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane
PubChem CID142540018
Molecular FormulaC12H19F3O3
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane
SMILESFC(F)(F)OC1CC(OCCC2CCCCO2)C1
InChIInChI=1S/C12H19F3O3/c13-12(14,15)18-11-7-10(8-11)17-6-4-9-3-1-2-5-16-9/h9-11H,1-8H2
InChIKeyNSGBZTOGGQPNCB-UHFFFAOYSA-N
XLogP3.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330
2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
1,1,1-trifluoro-3-(oxan-2-yl)propan-2-ol
CID 131515753
2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole
CID 142540033
(2S)-2-(fluoromethyl)oxane
CID 126712338
3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63952546
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
2-(oxan-2-ylmethyl)oxane
CID 67860654
3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide
CID 63952971
N-cyclohexyl-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 170085364

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane?
The IUPAC name of 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane (CID 142540018) is 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane.
What is the SMILES notation for 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane?
The canonical SMILES for 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane is FC(F)(F)OC1CC(OCCC2CCCCO2)C1.
What is the InChIKey of 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane?
The InChIKey is NSGBZTOGGQPNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O3/c13-12(14,15)18-11-7-10(8-11)17-6-4-9-3-1-2-5-16-9/h9-11H,1-8H2.
What are the key properties of 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane?
2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane has a molecular weight of 268.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane is sourced from PubChem (CID 142540018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).