8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

C9H16FN — CID 163256468

IUPAC8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCC12CCCN1CC(F)C2
InChIInChI=1S/C9H16FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h8H,2-7H2,1H3
InChIKeyFHRHYIZWASVAKH-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.97
Rot. Bonds1

About 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163256468) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163256468
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCC12CCCN1CC(F)C2
InChIInChI=1S/C9H16FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h8H,2-7H2,1H3
InChIKeyFHRHYIZWASVAKH-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Heliotridane
CID 11094614
1-Methylhexahydro-1H-pyrrolizine
CID 15559671
7a-Methyl-hexahydro-pyrrolizine
CID 13759523
(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine
CID 639426
(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 10773056
(1R,8R)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11643928
(1S,7AR)-1-methylhexahydro-1H-pyrrolizine
CID 11815356
[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl-trimethylstannane
CID 134999175
(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 135059859
Dimethylpyrrolizidine
CID 89262386
(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 134980453

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 163256468) is 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is CCC12CCCN1CC(F)C2.
What is the InChIKey of 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is FHRHYIZWASVAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h8H,2-7H2,1H3.
What are the key properties of 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 157.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).