2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C11H15F3N2 — CID 83208312

IUPAC2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C11H15F3N2/c12-11(13,14)7-16-5-8-3-1-2-4-10(15)9(8)6-16/h5-6,10H,1-4,7,15H2
InChIKeyUSBDQNRFGHNICI-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.78
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83208312) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83208312
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C11H15F3N2/c12-11(13,14)7-16-5-8-3-1-2-4-10(15)9(8)6-16/h5-6,10H,1-4,7,15H2
InChIKeyUSBDQNRFGHNICI-UHFFFAOYSA-N
XLogP2.78
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pentyl-4-(trifluoromethyl)-1H-pyrrole
CID 67809160
3-(difluoromethyl)-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrole
CID 145769723
1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrole
CID 145770030
(1R,9S)-6-fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 168862403
5,6-Difluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 168862423
6-Fluoro-4,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 170420404
(1R,9S)-3-fluoro-5,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 170420485
(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
CID 55295562
1-[1-Methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
CID 55298010
1-[1-(Difluoromethyl)pyrrol-3-yl]butan-2-amine
CID 66397370
1-[1-(2,2,2-Trifluoroethyl)pyrrol-3-yl]butan-2-amine
CID 66397577
1-[1-(Difluoromethyl)pyrrol-3-yl]propan-2-amine
CID 66398425

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83208312) is 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is NC1CCCCc2cn(CC(F)(F)F)cc21.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is USBDQNRFGHNICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)7-16-5-8-3-1-2-4-10(15)9(8)6-16/h5-6,10H,1-4,7,15H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 232.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).