(3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine

C10H10Cl2FN — CID 87549389

IUPAC(3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine
SMILESFN1CC[C@@H](c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C10H10Cl2FN/c11-9-3-8(4-10(12)5-9)7-1-2-14(13)6-7/h3-5,7H,1-2,6H2/t7-/m1/s1
InChIKeyMIIDYCYSPDVBNG-SSDOTTSWSA-N
MW234.10 g/mol
LogP3.67
Rot. Bonds1

About (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine

(3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine (PubChem CID 87549389) has the molecular formula C10H10Cl2FN and a molecular weight of 234.10 g/mol. Its IUPAC name is (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine.

Molecular Properties

Compound Name(3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine
PubChem CID87549389
Molecular FormulaC10H10Cl2FN
Molecular Weight234.10 g/mol
Exact Mass233.02
IUPAC Name(3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine
SMILESFN1CC[C@@H](c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C10H10Cl2FN/c11-9-3-8(4-10(12)5-9)7-1-2-14(13)6-7/h3-5,7H,1-2,6H2/t7-/m1/s1
InChIKeyMIIDYCYSPDVBNG-SSDOTTSWSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine?
The IUPAC name of (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine (CID 87549389) is (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine.
What is the SMILES notation for (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine?
The canonical SMILES for (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine is FN1CC[C@@H](c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine?
The InChIKey is MIIDYCYSPDVBNG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10Cl2FN/c11-9-3-8(4-10(12)5-9)7-1-2-14(13)6-7/h3-5,7H,1-2,6H2/t7-/m1/s1.
What are the key properties of (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine?
(3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine has a molecular weight of 234.10 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dichlorophenyl)-1-fluoropyrrolidine is sourced from PubChem (CID 87549389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).