(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine

C9H15F2N — CID 166489552

IUPAC(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC[C@@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C9H15F2N/c1-2-8-4-3-5-12(8)7-9(10,11)6-8/h2-7H2,1H3/t8-/m0/s1
InChIKeyGGNGYDNELZHCLJ-QMMMGPOBSA-N
MW175.22 g/mol
LogP2.27
Rot. Bonds1

About (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine

(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 166489552) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID166489552
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC[C@@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C9H15F2N/c1-2-8-4-3-5-12(8)7-9(10,11)6-8/h2-7H2,1H3/t8-/m0/s1
InChIKeyGGNGYDNELZHCLJ-QMMMGPOBSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7a-Methyl-hexahydro-pyrrolizine
CID 13759523
(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 10773056
(2,2-Difluoro-hexahydro-1H-pyrrolizin-7a-yl)methanamine
CID 118109084
8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 118121105
(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 140929495
2-Tert-butyl-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 153506022
6,6-difluoro-8-(iodomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156206195
(3aR,6aS)-2-tert-butyl-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 156299486
(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 156645435
8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 160649558
(2S,8S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256336

Frequently Asked Questions

What is the IUPAC name of (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 166489552) is (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine is CC[C@@]12CCCN1CC(F)(F)C2.
What is the InChIKey of (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is GGNGYDNELZHCLJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15F2N/c1-2-8-4-3-5-12(8)7-9(10,11)6-8/h2-7H2,1H3/t8-/m0/s1.
What are the key properties of (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 175.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 166489552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).