6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine

C12H15F3N2 — CID 170417174

IUPAC6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1CC2CC(c3cccn3C(F)(F)F)C1C2
InChIInChI=1S/C12H15F3N2/c13-12(14,15)17-3-1-2-11(17)9-5-7-4-8(9)10(16)6-7/h1-3,7-10H,4-6,16H2
InChIKeyIIEBZIAJLAYARU-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.81
Rot. Bonds1

About 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine

6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 170417174) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine
PubChem CID170417174
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1CC2CC(c3cccn3C(F)(F)F)C1C2
InChIInChI=1S/C12H15F3N2/c13-12(14,15)17-3-1-2-11(17)9-5-7-4-8(9)10(16)6-7/h1-3,7-10H,4-6,16H2
InChIKeyIIEBZIAJLAYARU-UHFFFAOYSA-N
XLogP2.81
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine (CID 170417174) is 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine is NC1CC2CC(c3cccn3C(F)(F)F)C1C2.
What is the InChIKey of 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is IIEBZIAJLAYARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)17-3-1-2-11(17)9-5-7-4-8(9)10(16)6-7/h1-3,7-10H,4-6,16H2.
What are the key properties of 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine?
6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 244.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 170417174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).