1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine

C11H10Cl2F3N — CID 168513028

IUPAC1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1c(Cl)ccc(N2CCCC2)c1Cl
InChIInChI=1S/C11H10Cl2F3N/c12-7-3-4-8(17-5-1-2-6-17)10(13)9(7)11(14,15)16/h3-4H,1-2,5-6H2
InChIKeyGUGCJSCCNUXUHR-UHFFFAOYSA-N
MW284.11 g/mol
LogP4.61
Rot. Bonds1

About 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine

1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 168513028) has the molecular formula C11H10Cl2F3N and a molecular weight of 284.11 g/mol. Its IUPAC name is 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID168513028
Molecular FormulaC11H10Cl2F3N
Molecular Weight284.11 g/mol
Exact Mass283.01
IUPAC Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1c(Cl)ccc(N2CCCC2)c1Cl
InChIInChI=1S/C11H10Cl2F3N/c12-7-3-4-8(17-5-1-2-6-17)10(13)9(7)11(14,15)16/h3-4H,1-2,5-6H2
InChIKeyGUGCJSCCNUXUHR-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine (CID 168513028) is 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1c(Cl)ccc(N2CCCC2)c1Cl.
What is the InChIKey of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is GUGCJSCCNUXUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3N/c12-7-3-4-8(17-5-1-2-6-17)10(13)9(7)11(14,15)16/h3-4H,1-2,5-6H2.
What are the key properties of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine?
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 284.11 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 168513028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).