(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine

C15H20FN — CID 178102448

IUPAC(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1CC1CCc2ccc(F)cc21
InChIInChI=1S/C15H20FN/c1-17-8-2-3-14(17)9-12-5-4-11-6-7-13(16)10-15(11)12/h6-7,10,12,14H,2-5,8-9H2,1H3/t12?,14-/m1/s1
InChIKeyRHNSFVAUUVVPSK-TYZXPVIJSA-N
MW233.33 g/mol
LogP3.34
Rot. Bonds2

About (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine

(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine (PubChem CID 178102448) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
PubChem CID178102448
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1CC1CCc2ccc(F)cc21
InChIInChI=1S/C15H20FN/c1-17-8-2-3-14(17)9-12-5-4-11-6-7-13(16)10-15(11)12/h6-7,10,12,14H,2-5,8-9H2,1H3/t12?,14-/m1/s1
InChIKeyRHNSFVAUUVVPSK-TYZXPVIJSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine (CID 178102448) is (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine is CN1CCC[C@@H]1CC1CCc2ccc(F)cc21.
What is the InChIKey of (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine?
The InChIKey is RHNSFVAUUVVPSK-TYZXPVIJSA-N. The full InChI is InChI=1S/C15H20FN/c1-17-8-2-3-14(17)9-12-5-4-11-6-7-13(16)10-15(11)12/h6-7,10,12,14H,2-5,8-9H2,1H3/t12?,14-/m1/s1.
What are the key properties of (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine?
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine has a molecular weight of 233.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 178102448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).