(2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine

C10H13F4N — CID 176950949

IUPAC(2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC[C@@]12C=C(C(F)(F)F)CN1C[C@H](F)C2
InChIInChI=1S/C10H13F4N/c1-2-9-3-7(10(12,13)14)5-15(9)6-8(11)4-9/h3,8H,2,4-6H2,1H3/t8-,9+/m1/s1
InChIKeyHIEGLKHLOWYEAW-BDAKNGLRSA-N
MW223.21 g/mol
LogP2.68
Rot. Bonds1

About (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine

(2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 176950949) has the molecular formula C10H13F4N and a molecular weight of 223.21 g/mol. Its IUPAC name is (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name(2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID176950949
Molecular FormulaC10H13F4N
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name(2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC[C@@]12C=C(C(F)(F)F)CN1C[C@H](F)C2
InChIInChI=1S/C10H13F4N/c1-2-9-3-7(10(12,13)14)5-15(9)6-8(11)4-9/h3,8H,2,4-6H2,1H3/t8-,9+/m1/s1
InChIKeyHIEGLKHLOWYEAW-BDAKNGLRSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 163614743
6-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163977858
2-[(2Z,5Z)-5-[(Z)-1,2-difluoroethenyl]-3-methylnona-2,5-dien-2-yl]-1,2-dimethylpyrrolidine
CID 166651561
8-Ethyl-7-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984255
6-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 166984259
6-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 166984319
8-Ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984390
(2R,8S)-2-fluoro-8-propan-2-yl-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
CID 172287808
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 172287810
2-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 172287917
(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine
CID 172288637
(2R,8R)-2-fluoro-8-(2-methylpropyl)-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
CID 172289059

Frequently Asked Questions

What is the IUPAC name of (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine (CID 176950949) is (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine is CC[C@@]12C=C(C(F)(F)F)CN1C[C@H](F)C2.
What is the InChIKey of (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is HIEGLKHLOWYEAW-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H13F4N/c1-2-9-3-7(10(12,13)14)5-15(9)6-8(11)4-9/h3,8H,2,4-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine?
(2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 223.21 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-8-ethyl-2-fluoro-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 176950949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).