1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine

C16H21ClFN — CID 164603382

IUPAC1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESCC(C)C1c2c(ccc(F)c2Cl)C[C@H]1N1CCCC1
InChIInChI=1S/C16H21ClFN/c1-10(2)14-13(19-7-3-4-8-19)9-11-5-6-12(18)16(17)15(11)14/h5-6,10,13-14H,3-4,7-9H2,1-2H3/t13-,14?/m1/s1
InChIKeyQXCJCDSTVIGRHX-KWCCSABGSA-N
MW281.80 g/mol
LogP4.24
Rot. Bonds2

About 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine

1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (PubChem CID 164603382) has the molecular formula C16H21ClFN and a molecular weight of 281.80 g/mol. Its IUPAC name is 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
PubChem CID164603382
Molecular FormulaC16H21ClFN
Molecular Weight281.80 g/mol
Exact Mass281.13
IUPAC Name1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESCC(C)C1c2c(ccc(F)c2Cl)C[C@H]1N1CCCC1
InChIInChI=1S/C16H21ClFN/c1-10(2)14-13(19-7-3-4-8-19)9-11-5-6-12(18)16(17)15(11)14/h5-6,10,13-14H,3-4,7-9H2,1-2H3/t13-,14?/m1/s1
InChIKeyQXCJCDSTVIGRHX-KWCCSABGSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.80
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The IUPAC name of 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (CID 164603382) is 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The canonical SMILES for 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is CC(C)C1c2c(ccc(F)c2Cl)C[C@H]1N1CCCC1.
What is the InChIKey of 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The InChIKey is QXCJCDSTVIGRHX-KWCCSABGSA-N. The full InChI is InChI=1S/C16H21ClFN/c1-10(2)14-13(19-7-3-4-8-19)9-11-5-6-12(18)16(17)15(11)14/h5-6,10,13-14H,3-4,7-9H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine has a molecular weight of 281.80 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-7-chloro-6-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is sourced from PubChem (CID 164603382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).