3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine

C14H19ClFNO — CID 66848606

IUPAC3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine
SMILESCC(C)C(Oc1cccc(F)c1Cl)C1CCNC1
InChIInChI=1S/C14H19ClFNO/c1-9(2)14(10-6-7-17-8-10)18-12-5-3-4-11(16)13(12)15/h3-5,9-10,14,17H,6-8H2,1-2H3
InChIKeyPZORZKYNDOVYSR-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.49
Rot. Bonds4

About 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine

3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine (PubChem CID 66848606) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine
PubChem CID66848606
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine
SMILESCC(C)C(Oc1cccc(F)c1Cl)C1CCNC1
InChIInChI=1S/C14H19ClFNO/c1-9(2)14(10-6-7-17-8-10)18-12-5-3-4-11(16)13(12)15/h3-5,9-10,14,17H,6-8H2,1-2H3
InChIKeyPZORZKYNDOVYSR-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 44625568
CID 44625568
CID 44625569
CID 44625569
CID 71562833
CID 71562833
CID 71562586
CID 71562586
CID 71562719
CID 71562719
CID 71719533
CID 71719533
CID 44625567
CID 44625567
CID 71562373
CID 71562373
CID 71562374
CID 71562374
CID 71562479
CID 71562479
CID 71562587
CID 71562587
CID 71562591
CID 71562591

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The IUPAC name of 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine (CID 66848606) is 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine.
What is the SMILES notation for 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The canonical SMILES for 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine is CC(C)C(Oc1cccc(F)c1Cl)C1CCNC1.
What is the InChIKey of 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The InChIKey is PZORZKYNDOVYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-9(2)14(10-6-7-17-8-10)18-12-5-3-4-11(16)13(12)15/h3-5,9-10,14,17H,6-8H2,1-2H3.
What are the key properties of 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine has a molecular weight of 271.76 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-3-fluorophenoxy)-2-methylpropyl]pyrrolidine is sourced from PubChem (CID 66848606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).