2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine

C8H12F3N — CID 118937908

IUPAC2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine
SMILESNCCC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C8H12F3N/c9-8(10,11)7-3-6(4-7,5-7)1-2-12/h1-5,12H2
InChIKeyMCUAAQKLMBYFTP-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.07
Rot. Bonds2

About 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine

2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine (PubChem CID 118937908) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine
PubChem CID118937908
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine
SMILESNCCC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C8H12F3N/c9-8(10,11)7-3-6(4-7,5-7)1-2-12/h1-5,12H2
InChIKeyMCUAAQKLMBYFTP-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine (CID 118937908) is 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine is NCCC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine?
The InChIKey is MCUAAQKLMBYFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)7-3-6(4-7,5-7)1-2-12/h1-5,12H2.
What are the key properties of 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine?
2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine has a molecular weight of 179.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanamine is sourced from PubChem (CID 118937908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).