1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine

C14H18FN — CID 164603345

IUPAC1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESCC1c2c(F)cccc2C[C@H]1N1CCCC1
InChIInChI=1S/C14H18FN/c1-10-13(16-7-2-3-8-16)9-11-5-4-6-12(15)14(10)11/h4-6,10,13H,2-3,7-9H2,1H3/t10?,13-/m1/s1
InChIKeyLPRGCHBHWICYTF-JLOHTSLTSA-N
MW219.30 g/mol
LogP2.95
Rot. Bonds1

About 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine

1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (PubChem CID 164603345) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
PubChem CID164603345
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESCC1c2c(F)cccc2C[C@H]1N1CCCC1
InChIInChI=1S/C14H18FN/c1-10-13(16-7-2-3-8-16)9-11-5-4-6-12(15)14(10)11/h4-6,10,13H,2-3,7-9H2,1H3/t10?,13-/m1/s1
InChIKeyLPRGCHBHWICYTF-JLOHTSLTSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The IUPAC name of 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (CID 164603345) is 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The canonical SMILES for 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is CC1c2c(F)cccc2C[C@H]1N1CCCC1.
What is the InChIKey of 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The InChIKey is LPRGCHBHWICYTF-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H18FN/c1-10-13(16-7-2-3-8-16)9-11-5-4-6-12(15)14(10)11/h4-6,10,13H,2-3,7-9H2,1H3/t10?,13-/m1/s1.
What are the key properties of 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine has a molecular weight of 219.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is sourced from PubChem (CID 164603345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).