(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

C8H14FN — CID 156645435

IUPAC(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC[C@@]12CCCN1CC(F)C2
InChIInChI=1S/C8H14FN/c1-8-3-2-4-10(8)6-7(9)5-8/h7H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyGHCMVWSBCOAZSE-MQWKRIRWSA-N
MW143.20 g/mol
LogP1.58
Rot. Bonds

About (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 156645435) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID156645435
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC[C@@]12CCCN1CC(F)C2
InChIInChI=1S/C8H14FN/c1-8-3-2-4-10(8)6-7(9)5-8/h7H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyGHCMVWSBCOAZSE-MQWKRIRWSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.58
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)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 135059859
(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 134980453
((2S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanamine
CID 118109110
((2S,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanamine
CID 118109111

Frequently Asked Questions

What is the IUPAC name of (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 156645435) is (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is C[C@@]12CCCN1CC(F)C2.
What is the InChIKey of (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is GHCMVWSBCOAZSE-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H14FN/c1-8-3-2-4-10(8)6-7(9)5-8/h7H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 143.20 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 156645435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).