3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine

C15H16FN — CID 112564286

IUPAC3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine
SMILESFC1(Cc2cccc3ccccc23)CCNC1
InChIInChI=1S/C15H16FN/c16-15(8-9-17-11-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,17H,8-11H2
InChIKeyPVHBTFFRCUCGCW-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.08
Rot. Bonds2

About 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine

3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine (PubChem CID 112564286) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine
PubChem CID112564286
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine
SMILESFC1(Cc2cccc3ccccc23)CCNC1
InChIInChI=1S/C15H16FN/c16-15(8-9-17-11-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,17H,8-11H2
InChIKeyPVHBTFFRCUCGCW-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine (CID 112564286) is 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine is FC1(Cc2cccc3ccccc23)CCNC1.
What is the InChIKey of 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine?
The InChIKey is PVHBTFFRCUCGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c16-15(8-9-17-11-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,17H,8-11H2.
What are the key properties of 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine?
3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine has a molecular weight of 229.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 112564286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).