3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine

C11H14F3NO — CID 70973198

IUPAC3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine
SMILESFC(F)(F)C1=CC(OC2CCNC2)CC=C1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)8-2-1-3-9(6-8)16-10-4-5-15-7-10/h1-2,6,9-10,15H,3-5,7H2
InChIKeyOMPZASJQVKWSEX-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.18
Rot. Bonds2

About 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine

3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine (PubChem CID 70973198) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine
PubChem CID70973198
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine
SMILESFC(F)(F)C1=CC(OC2CCNC2)CC=C1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)8-2-1-3-9(6-8)16-10-4-5-15-7-10/h1-2,6,9-10,15H,3-5,7H2
InChIKeyOMPZASJQVKWSEX-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine?
The IUPAC name of 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine (CID 70973198) is 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine.
What is the SMILES notation for 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine?
The canonical SMILES for 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine is FC(F)(F)C1=CC(OC2CCNC2)CC=C1.
What is the InChIKey of 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine?
The InChIKey is OMPZASJQVKWSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)8-2-1-3-9(6-8)16-10-4-5-15-7-10/h1-2,6,9-10,15H,3-5,7H2.
What are the key properties of 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine?
3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine has a molecular weight of 233.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine is sourced from PubChem (CID 70973198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).