2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine

C8H10F3N — CID 164521799

IUPAC2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESFC(F)(F)C1CC2=CCCN2C1
InChIInChI=1S/C8H10F3N/c9-8(10,11)6-4-7-2-1-3-12(7)5-6/h2,6H,1,3-5H2
InChIKeyRXQRWBLZUBGKGB-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.16
Rot. Bonds

About 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine

2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine (PubChem CID 164521799) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
PubChem CID164521799
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESFC(F)(F)C1CC2=CCCN2C1
InChIInChI=1S/C8H10F3N/c9-8(10,11)6-4-7-2-1-3-12(7)5-6/h2,6H,1,3-5H2
InChIKeyRXQRWBLZUBGKGB-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The IUPAC name of 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine (CID 164521799) is 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine is FC(F)(F)C1CC2=CCCN2C1.
What is the InChIKey of 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The InChIKey is RXQRWBLZUBGKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c9-8(10,11)6-4-7-2-1-3-12(7)5-6/h2,6H,1,3-5H2.
What are the key properties of 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine has a molecular weight of 177.17 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 164521799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).