5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole

C15H22FN — CID 58531229

IUPAC5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole
SMILESFC1(C2=CCC=N2)CCC2(CCCCC2)CC1
InChIInChI=1S/C15H22FN/c16-15(13-5-4-12-17-13)10-8-14(9-11-15)6-2-1-3-7-14/h5,12H,1-4,6-11H2
InChIKeyUTBSJUQNFYGWJU-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.58
Rot. Bonds1

About 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole

5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole (PubChem CID 58531229) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole.

Molecular Properties

Compound Name5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole
PubChem CID58531229
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole
SMILESFC1(C2=CCC=N2)CCC2(CCCCC2)CC1
InChIInChI=1S/C15H22FN/c16-15(13-5-4-12-17-13)10-8-14(9-11-15)6-2-1-3-7-14/h5,12H,1-4,6-11H2
InChIKeyUTBSJUQNFYGWJU-UHFFFAOYSA-N
XLogP4.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole
CID 58525405
5-spiro[5.5]undecan-3-yl-3H-pyrrole
CID 58525396

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole?
The IUPAC name of 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole (CID 58531229) is 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole.
What is the SMILES notation for 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole?
The canonical SMILES for 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole is FC1(C2=CCC=N2)CCC2(CCCCC2)CC1.
What is the InChIKey of 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole?
The InChIKey is UTBSJUQNFYGWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c16-15(13-5-4-12-17-13)10-8-14(9-11-15)6-2-1-3-7-14/h5,12H,1-4,6-11H2.
What are the key properties of 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole?
5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole has a molecular weight of 235.35 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole is sourced from PubChem (CID 58531229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).