(3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine

C10H12F2N2 — CID 89033636

IUPAC(3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2/c11-6-1-2-7(9(12)3-6)8-4-14-5-10(8)13/h1-3,8,10,14H,4-5,13H2/t8-,10+/m1/s1
InChIKeySSTSGUSTHNJEFG-SCZZXKLOSA-N
MW198.22 g/mol
LogP0.98
Rot. Bonds1

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

(3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine (PubChem CID 89033636) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine
PubChem CID89033636
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2/c11-6-1-2-7(9(12)3-6)8-4-14-5-10(8)13/h1-3,8,10,14H,4-5,13H2/t8-,10+/m1/s1
InChIKeySSTSGUSTHNJEFG-SCZZXKLOSA-N
XLogP0.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine (CID 89033636) is (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine is N[C@H]1CNC[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine?
The InChIKey is SSTSGUSTHNJEFG-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-6-1-2-7(9(12)3-6)8-4-14-5-10(8)13/h1-3,8,10,14H,4-5,13H2/t8-,10+/m1/s1.
What are the key properties of (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine?
(3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine has a molecular weight of 198.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 89033636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).