(2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine

C16H22FNO — CID 178102547

IUPAC(2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine
SMILESCOc1ccc2c(c1)[C@@](F)(C[C@@H]1CCCN1C)CC2
InChIInChI=1S/C16H22FNO/c1-18-9-3-4-13(18)11-16(17)8-7-12-5-6-14(19-2)10-15(12)16/h5-6,10,13H,3-4,7-9,11H2,1-2H3/t13-,16-/m0/s1
InChIKeyAEUGVDKMKUICKK-BBRMVZONSA-N
MW263.36 g/mol
LogP3.29
Rot. Bonds3

About (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine

(2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine (PubChem CID 178102547) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine
PubChem CID178102547
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine
SMILESCOc1ccc2c(c1)[C@@](F)(C[C@@H]1CCCN1C)CC2
InChIInChI=1S/C16H22FNO/c1-18-9-3-4-13(18)11-16(17)8-7-12-5-6-14(19-2)10-15(12)16/h5-6,10,13H,3-4,7-9,11H2,1-2H3/t13-,16-/m0/s1
InChIKeyAEUGVDKMKUICKK-BBRMVZONSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine (CID 178102547) is (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine is COc1ccc2c(c1)[C@@](F)(C[C@@H]1CCCN1C)CC2.
What is the InChIKey of (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine?
The InChIKey is AEUGVDKMKUICKK-BBRMVZONSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18-9-3-4-13(18)11-16(17)8-7-12-5-6-14(19-2)10-15(12)16/h5-6,10,13H,3-4,7-9,11H2,1-2H3/t13-,16-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine?
(2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine has a molecular weight of 263.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-fluoro-6-methoxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrrolidine is sourced from PubChem (CID 178102547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).