(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine

C13H16FNO — CID 122456753

IUPAC(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
SMILESFc1ccc2c(c1)CCO[C@H]2[C@H]1CCCN1
InChIInChI=1S/C13H16FNO/c14-10-3-4-11-9(8-10)5-7-16-13(11)12-2-1-6-15-12/h3-4,8,12-13,15H,1-2,5-7H2/t12-,13-/m1/s1
InChIKeyYDHXRLZTOOBMGJ-CHWSQXEVSA-N
MW221.27 g/mol
LogP2.19
Rot. Bonds1

About (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine

(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine (PubChem CID 122456753) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
PubChem CID122456753
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
SMILESFc1ccc2c(c1)CCO[C@H]2[C@H]1CCCN1
InChIInChI=1S/C13H16FNO/c14-10-3-4-11-9(8-10)5-7-16-13(11)12-2-1-6-15-12/h3-4,8,12-13,15H,1-2,5-7H2/t12-,13-/m1/s1
InChIKeyYDHXRLZTOOBMGJ-CHWSQXEVSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine?
The IUPAC name of (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine (CID 122456753) is (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine is Fc1ccc2c(c1)CCO[C@H]2[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine?
The InChIKey is YDHXRLZTOOBMGJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16FNO/c14-10-3-4-11-9(8-10)5-7-16-13(11)12-2-1-6-15-12/h3-4,8,12-13,15H,1-2,5-7H2/t12-,13-/m1/s1.
What are the key properties of (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine?
(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine is sourced from PubChem (CID 122456753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).