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

C10H10ClF2N — CID 126652081

IUPAC(2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine
SMILESFc1cc(Cl)cc([C@H]2C[C@H](F)CN2)c1
InChIInChI=1S/C10H10ClF2N/c11-7-1-6(2-8(12)3-7)10-4-9(13)5-14-10/h1-3,9-10,14H,4-5H2/t9-,10+/m0/s1
InChIKeyWXQAYUYHBYDULK-VHSXEESVSA-N
MW217.65 g/mol
LogP2.85
Rot. Bonds1

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

(2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine (PubChem CID 126652081) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine
PubChem CID126652081
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name(2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine
SMILESFc1cc(Cl)cc([C@H]2C[C@H](F)CN2)c1
InChIInChI=1S/C10H10ClF2N/c11-7-1-6(2-8(12)3-7)10-4-9(13)5-14-10/h1-3,9-10,14H,4-5H2/t9-,10+/m0/s1
InChIKeyWXQAYUYHBYDULK-VHSXEESVSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine?
The IUPAC name of (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine (CID 126652081) is (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine.
What is the SMILES notation for (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine?
The canonical SMILES for (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine is Fc1cc(Cl)cc([C@H]2C[C@H](F)CN2)c1.
What is the InChIKey of (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine?
The InChIKey is WXQAYUYHBYDULK-VHSXEESVSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-7-1-6(2-8(12)3-7)10-4-9(13)5-14-10/h1-3,9-10,14H,4-5H2/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine?
(2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine has a molecular weight of 217.65 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine is sourced from PubChem (CID 126652081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).