2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C12H16F3NO2 — CID 83208335

IUPAC2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)18-6-5-16-7-9-3-1-2-4-11(17)10(9)8-16/h7-8,11,17H,1-6H2
InChIKeyGFQLTXZEYLGCOM-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.78
Rot. Bonds3

About 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208335) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208335
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)18-6-5-16-7-9-3-1-2-4-11(17)10(9)8-16/h7-8,11,17H,1-6H2
InChIKeyGFQLTXZEYLGCOM-UHFFFAOYSA-N
XLogP2.78
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208335) is 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is OC1CCCCc2cn(CCOC(F)(F)F)cc21.
What is the InChIKey of 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is GFQLTXZEYLGCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c13-12(14,15)18-6-5-16-7-9-3-1-2-4-11(17)10(9)8-16/h7-8,11,17H,1-6H2.
What are the key properties of 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 263.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).