ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine

C10H22FNO — CID 168995701

IUPACethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine
SMILESCC.COC(CF)[C@@H]1CCCN1C
InChIInChI=1S/C8H16FNO.C2H6/c1-10-5-3-4-7(10)8(6-9)11-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/t7-,8?;/m0./s1
InChIKeySNQGCKTVQNELFN-JPPWUZRISA-N
MW191.29 g/mol
LogP2.09
Rot. Bonds3

About ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine

ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine (PubChem CID 168995701) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine
PubChem CID168995701
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Nameethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine
SMILESCC.COC(CF)[C@@H]1CCCN1C
InChIInChI=1S/C8H16FNO.C2H6/c1-10-5-3-4-7(10)8(6-9)11-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/t7-,8?;/m0./s1
InChIKeySNQGCKTVQNELFN-JPPWUZRISA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine?
The IUPAC name of ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine (CID 168995701) is ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine.
What is the SMILES notation for ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine?
The canonical SMILES for ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine is CC.COC(CF)[C@@H]1CCCN1C.
What is the InChIKey of ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine?
The InChIKey is SNQGCKTVQNELFN-JPPWUZRISA-N. The full InChI is InChI=1S/C8H16FNO.C2H6/c1-10-5-3-4-7(10)8(6-9)11-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/t7-,8?;/m0./s1.
What are the key properties of ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine?
ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine has a molecular weight of 191.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine is sourced from PubChem (CID 168995701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).