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

C9H18FN — CID 164903957

IUPAC(2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane
SMILESC.C[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C8H14FN.CH4/c1-8-3-2-4-10(8)6-7(9)5-8;/h7H,2-6H2,1H3;1H4/t7-,8+;/m1./s1
InChIKeyJXAGBNVWDKZAFE-WLYNEOFISA-N
MW159.25 g/mol
LogP2.22
Rot. Bonds

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

(2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane (PubChem CID 164903957) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane.

Molecular Properties

Compound Name(2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane
PubChem CID164903957
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane
SMILESC.C[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C8H14FN.CH4/c1-8-3-2-4-10(8)6-7(9)5-8;/h7H,2-6H2,1H3;1H4/t7-,8+;/m1./s1
InChIKeyJXAGBNVWDKZAFE-WLYNEOFISA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170704092
(8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile
CID 171595552
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305
8a-methyl-2,3,5,6,7,8-hexahydro-1H-indolizin-7-amine
CID 90440112
benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
(2R)-2-fluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 177327451
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
8a-methyl-2-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 176937672
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carbothialdehyde
CID 164922203

Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane?
The IUPAC name of (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane (CID 164903957) is (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane.
What is the SMILES notation for (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane?
The canonical SMILES for (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane is C.C[C@@]12CCCN1C[C@H](F)C2.
What is the InChIKey of (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane?
The InChIKey is JXAGBNVWDKZAFE-WLYNEOFISA-N. The full InChI is InChI=1S/C8H14FN.CH4/c1-8-3-2-4-10(8)6-7(9)5-8;/h7H,2-6H2,1H3;1H4/t7-,8+;/m1./s1.
What are the key properties of (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane?
(2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane has a molecular weight of 159.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane is sourced from PubChem (CID 164903957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).