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

C10H18FNO — CID 168881593

IUPAC(2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCC(C)N1C[C@@H](F)C2
InChIInChI=1S/C10H18FNO/c1-8-3-4-10(7-13-2)5-9(11)6-12(8)10/h8-9H,3-7H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyQAXVHTWTXWQQCK-KYHHOPLUSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds2

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

(2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 168881593) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID168881593
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCC(C)N1C[C@@H](F)C2
InChIInChI=1S/C10H18FNO/c1-8-3-4-10(7-13-2)5-9(11)6-12(8)10/h8-9H,3-7H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyQAXVHTWTXWQQCK-KYHHOPLUSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 168881593) is (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine is COCC12CCC(C)N1C[C@@H](F)C2.
What is the InChIKey of (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is QAXVHTWTXWQQCK-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8-3-4-10(7-13-2)5-9(11)6-12(8)10/h8-9H,3-7H2,1-2H3/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
(2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 187.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 168881593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).