(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine

C15H20FN — CID 66519369

IUPAC(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine
SMILESCc1c(F)cc2c(c1[C@H]1CCCN1)CCCC2
InChIInChI=1S/C15H20FN/c1-10-13(16)9-11-5-2-3-6-12(11)15(10)14-7-4-8-17-14/h9,14,17H,2-8H2,1H3/t14-/m1/s1
InChIKeyDHXWNWJNIXWOFQ-CQSZACIVSA-N
MW233.33 g/mol
LogP3.44
Rot. Bonds1

About (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine

(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine (PubChem CID 66519369) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine
PubChem CID66519369
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine
SMILESCc1c(F)cc2c(c1[C@H]1CCCN1)CCCC2
InChIInChI=1S/C15H20FN/c1-10-13(16)9-11-5-2-3-6-12(11)15(10)14-7-4-8-17-14/h9,14,17H,2-8H2,1H3/t14-/m1/s1
InChIKeyDHXWNWJNIXWOFQ-CQSZACIVSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine?
The IUPAC name of (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine (CID 66519369) is (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine.
What is the SMILES notation for (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine?
The canonical SMILES for (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine is Cc1c(F)cc2c(c1[C@H]1CCCN1)CCCC2.
What is the InChIKey of (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine?
The InChIKey is DHXWNWJNIXWOFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20FN/c1-10-13(16)9-11-5-2-3-6-12(11)15(10)14-7-4-8-17-14/h9,14,17H,2-8H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine?
(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine has a molecular weight of 233.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine is sourced from PubChem (CID 66519369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).