6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole

C11H12F3N — CID 143270887

IUPAC6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole
SMILESFC(F)(F)CC1=CCC2=C(C=C1)CNC2
InChIInChI=1S/C11H12F3N/c12-11(13,14)5-8-1-3-9-6-15-7-10(9)4-2-8/h1-3,15H,4-7H2
InChIKeyLFDQLUUDBXOTQT-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.72
Rot. Bonds1

About 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole

6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole (PubChem CID 143270887) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole
PubChem CID143270887
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole
SMILESFC(F)(F)CC1=CCC2=C(C=C1)CNC2
InChIInChI=1S/C11H12F3N/c12-11(13,14)5-8-1-3-9-6-15-7-10(9)4-2-8/h1-3,15H,4-7H2
InChIKeyLFDQLUUDBXOTQT-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
1-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanamine
CID 142812251
(2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 142872853
1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
CID 143321404
4-Fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole
CID 143402804
1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
CID 143410965
(2E,3E)-2-ethylidene-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 143410966
(2E,3Z)-2-ethylidene-N-methyl-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 143486800
(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
CID 143823865
3-methyl-4-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]-2,5-dihydro-1H-pyrrole
CID 145278560
(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidin-1-ium
CID 145417314

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole (CID 143270887) is 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole is FC(F)(F)CC1=CCC2=C(C=C1)CNC2.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole?
The InChIKey is LFDQLUUDBXOTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)5-8-1-3-9-6-15-7-10(9)4-2-8/h1-3,15H,4-7H2.
What are the key properties of 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole?
6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole has a molecular weight of 215.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole is sourced from PubChem (CID 143270887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).