1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

C20H21ClFN — CID 24754117

IUPAC1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESFc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1Cl
InChIInChI=1S/C20H21ClFN/c21-19-13-17(6-8-20(19)22)14-3-4-16-12-18(7-5-15(16)11-14)23-9-1-2-10-23/h3-4,6,8,11,13,18H,1-2,5,7,9-10,12H2
InChIKeyZJRJKCJLWRJUHC-UHFFFAOYSA-N
MW329.85 g/mol
LogP5.10
Rot. Bonds2

About 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (PubChem CID 24754117) has the molecular formula C20H21ClFN and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
PubChem CID24754117
Molecular FormulaC20H21ClFN
Molecular Weight329.85 g/mol
Exact Mass329.13
IUPAC Name1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESFc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1Cl
InChIInChI=1S/C20H21ClFN/c21-19-13-17(6-8-20(19)22)14-3-4-16-12-18(7-5-15(16)11-14)23-9-1-2-10-23/h3-4,6,8,11,13,18H,1-2,5,7,9-10,12H2
InChIKeyZJRJKCJLWRJUHC-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.85
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The IUPAC name of 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (CID 24754117) is 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.
What is the SMILES notation for 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The canonical SMILES for 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is Fc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1Cl.
What is the InChIKey of 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The InChIKey is ZJRJKCJLWRJUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN/c21-19-13-17(6-8-20(19)22)14-3-4-16-12-18(7-5-15(16)11-14)23-9-1-2-10-23/h3-4,6,8,11,13,18H,1-2,5,7,9-10,12H2.
What are the key properties of 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine has a molecular weight of 329.85 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is sourced from PubChem (CID 24754117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).