2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile

C11H12FN3 — CID 94340829

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1N1CC[C@@H](N)C1
InChIInChI=1S/C11H12FN3/c12-10-2-1-3-11(9(10)6-13)15-5-4-8(14)7-15/h1-3,8H,4-5,7,14H2/t8-/m1/s1
InChIKeySGAHFJYLYMOKFR-MRVPVSSYSA-N
MW205.24 g/mol
LogP1.23
Rot. Bonds1

About 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile

2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile (PubChem CID 94340829) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
PubChem CID94340829
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1N1CC[C@@H](N)C1
InChIInChI=1S/C11H12FN3/c12-10-2-1-3-11(9(10)6-13)15-5-4-8(14)7-15/h1-3,8H,4-5,7,14H2/t8-/m1/s1
InChIKeySGAHFJYLYMOKFR-MRVPVSSYSA-N
XLogP1.23
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile (CID 94340829) is 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile is N#Cc1c(F)cccc1N1CC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile?
The InChIKey is SGAHFJYLYMOKFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-2-1-3-11(9(10)6-13)15-5-4-8(14)7-15/h1-3,8H,4-5,7,14H2/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile?
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile has a molecular weight of 205.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 94340829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).