(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine

C10H12ClFN2 — CID 70647904

IUPAC(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@@H]1c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2/c11-6-1-2-9(12)7(3-6)8-4-14-5-10(8)13/h1-3,8,10,14H,4-5,13H2/t8-,10+/m1/s1
InChIKeyDITHVWPZTFQXIO-SCZZXKLOSA-N
MW214.67 g/mol
LogP1.49
Rot. Bonds1

About (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine

(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine (PubChem CID 70647904) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine
PubChem CID70647904
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@@H]1c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2/c11-6-1-2-9(12)7(3-6)8-4-14-5-10(8)13/h1-3,8,10,14H,4-5,13H2/t8-,10+/m1/s1
InChIKeyDITHVWPZTFQXIO-SCZZXKLOSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine (CID 70647904) is (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine is N[C@H]1CNC[C@@H]1c1cc(Cl)ccc1F.
What is the InChIKey of (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is DITHVWPZTFQXIO-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H12ClFN2/c11-6-1-2-9(12)7(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-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine?
(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 214.67 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 70647904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).