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

C14H18FNO — CID 164603258

IUPAC(3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESC[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1
InChIInChI=1S/C14H18FNO/c1-9-13(16-6-5-11(17)8-16)7-10-3-2-4-12(15)14(9)10/h2-4,9,11,13,17H,5-8H2,1H3/t9-,11+,13+/m0/s1
InChIKeyJFPVJPLSMLTJQM-UFGOTCBOSA-N
MW235.30 g/mol
LogP1.92
Rot. Bonds1

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

(3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (PubChem CID 164603258) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
PubChem CID164603258
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESC[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1
InChIInChI=1S/C14H18FNO/c1-9-13(16-6-5-11(17)8-16)7-10-3-2-4-12(15)14(9)10/h2-4,9,11,13,17H,5-8H2,1H3/t9-,11+,13+/m0/s1
InChIKeyJFPVJPLSMLTJQM-UFGOTCBOSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (CID 164603258) is (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is C[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The InChIKey is JFPVJPLSMLTJQM-UFGOTCBOSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-13(16-6-5-11(17)8-16)7-10-3-2-4-12(15)14(9)10/h2-4,9,11,13,17H,5-8H2,1H3/t9-,11+,13+/m0/s1.
What are the key properties of (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
(3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol has a molecular weight of 235.30 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 164603258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).