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2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine

C10H14FN — CID 143944881

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESFC1=CCCC=C1C1CCCN1
InChIInChI=1S/C10H14FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h4-5,10,12H,1-3,6-7H2
InChIKeyOTKVKGQHOWOXAM-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.31
Rot. Bonds1

About 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine

2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine (PubChem CID 143944881) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
PubChem CID143944881
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESFC1=CCCC=C1C1CCCN1
InChIInChI=1S/C10H14FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h4-5,10,12H,1-3,6-7H2
InChIKeyOTKVKGQHOWOXAM-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The IUPAC name of 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine (CID 143944881) is 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine.
What is the SMILES notation for 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The canonical SMILES for 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine is FC1=CCCC=C1C1CCCN1.
What is the InChIKey of 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The InChIKey is OTKVKGQHOWOXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h4-5,10,12H,1-3,6-7H2.
What are the key properties of 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine has a molecular weight of 167.23 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine is sourced from PubChem (CID 143944881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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