(3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine

C11H13ClFNO — CID 67403600

IUPAC(3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine
SMILESCON1CC[C@@H](c2cccc(Cl)c2F)C1
InChIInChI=1S/C11H13ClFNO/c1-15-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyMZFBMPGYGWVYGY-MRVPVSSYSA-N
MW229.68 g/mol
LogP2.83
Rot. Bonds2

About (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine

(3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine (PubChem CID 67403600) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine.

Molecular Properties

Compound Name(3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine
PubChem CID67403600
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine
SMILESCON1CC[C@@H](c2cccc(Cl)c2F)C1
InChIInChI=1S/C11H13ClFNO/c1-15-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyMZFBMPGYGWVYGY-MRVPVSSYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine?
The IUPAC name of (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine (CID 67403600) is (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine.
What is the SMILES notation for (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine?
The canonical SMILES for (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine is CON1CC[C@@H](c2cccc(Cl)c2F)C1.
What is the InChIKey of (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine?
The InChIKey is MZFBMPGYGWVYGY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine?
(3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine has a molecular weight of 229.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine is sourced from PubChem (CID 67403600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).