1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine

C14H16FN — CID 10330970

IUPAC1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine
SMILESFc1cccc2c1C=C(N1CCCC1)CC2
InChIInChI=1S/C14H16FN/c15-14-5-3-4-11-6-7-12(10-13(11)14)16-8-1-2-9-16/h3-5,10H,1-2,6-9H2
InChIKeyRUGKBUHZCRXUBB-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.21
Rot. Bonds1

About 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine

1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine (PubChem CID 10330970) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine
PubChem CID10330970
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine
SMILESFc1cccc2c1C=C(N1CCCC1)CC2
InChIInChI=1S/C14H16FN/c15-14-5-3-4-11-6-7-12(10-13(11)14)16-8-1-2-9-16/h3-5,10H,1-2,6-9H2
InChIKeyRUGKBUHZCRXUBB-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The IUPAC name of 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine (CID 10330970) is 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine is Fc1cccc2c1C=C(N1CCCC1)CC2.
What is the InChIKey of 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The InChIKey is RUGKBUHZCRXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c15-14-5-3-4-11-6-7-12(10-13(11)14)16-8-1-2-9-16/h3-5,10H,1-2,6-9H2.
What are the key properties of 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine?
1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine has a molecular weight of 217.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3,4-dihydronaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 10330970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).