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

C14H17ClFN — CID 171443197

IUPAC1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESC[C@@H]1c2c(ccc(F)c2Cl)C[C@H]1N1CCCC1
InChIInChI=1S/C14H17ClFN/c1-9-12(17-6-2-3-7-17)8-10-4-5-11(16)14(15)13(9)10/h4-5,9,12H,2-3,6-8H2,1H3/t9-,12+/m0/s1
InChIKeyQEPIKJUJEFPQDU-JOYOIKCWSA-N
MW253.75 g/mol
LogP3.60
Rot. Bonds1

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

1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (PubChem CID 171443197) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
PubChem CID171443197
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC Name1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESC[C@@H]1c2c(ccc(F)c2Cl)C[C@H]1N1CCCC1
InChIInChI=1S/C14H17ClFN/c1-9-12(17-6-2-3-7-17)8-10-4-5-11(16)14(15)13(9)10/h4-5,9,12H,2-3,6-8H2,1H3/t9-,12+/m0/s1
InChIKeyQEPIKJUJEFPQDU-JOYOIKCWSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260277
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102448
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 13543790
(1R,3R)-3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 13543794
3-(2-Chloro-3-fluorophenyl)-1-methylpyrrolidine
CID 67175224
(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 70520507
3-(3-Chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 70971643
1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
CID 122576268
6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 123840050
3-(3-Chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine
CID 130439601
(2R)-6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 144577158
(3S,4R)-3-(2-chloro-3-fluorophenyl)-1,4-dimethylpyrrolidine
CID 146238447

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The IUPAC name of 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (CID 171443197) is 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The canonical SMILES for 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is C[C@@H]1c2c(ccc(F)c2Cl)C[C@H]1N1CCCC1.
What is the InChIKey of 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The InChIKey is QEPIKJUJEFPQDU-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H17ClFN/c1-9-12(17-6-2-3-7-17)8-10-4-5-11(16)14(15)13(9)10/h4-5,9,12H,2-3,6-8H2,1H3/t9-,12+/m0/s1.
What are the key properties of 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine has a molecular weight of 253.75 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-7-chloro-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is sourced from PubChem (CID 171443197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).