(2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine

C13H16F2N2 — CID 95359032

IUPAC(2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2/c14-10-4-1-8(7-11(10)15)13-12(16)5-6-17(13)9-2-3-9/h1,4,7,9,12-13H,2-3,5-6,16H2/t12-,13-/m1/s1
InChIKeyMFOXIVRDVQGIJV-CHWSQXEVSA-N
MW238.28 g/mol
LogP2.20
Rot. Bonds2

About (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine

(2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine (PubChem CID 95359032) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine
PubChem CID95359032
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name(2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2/c14-10-4-1-8(7-11(10)15)13-12(16)5-6-17(13)9-2-3-9/h1,4,7,9,12-13H,2-3,5-6,16H2/t12-,13-/m1/s1
InChIKeyMFOXIVRDVQGIJV-CHWSQXEVSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine 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,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine?
The IUPAC name of (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine (CID 95359032) is (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine is N[C@@H]1CCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine?
The InChIKey is MFOXIVRDVQGIJV-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16F2N2/c14-10-4-1-8(7-11(10)15)13-12(16)5-6-17(13)9-2-3-9/h1,4,7,9,12-13H,2-3,5-6,16H2/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine?
(2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine has a molecular weight of 238.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 95359032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).