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

C16H24FN — CID 58525405

IUPAC5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole
SMILESFC(C1=CCC=N1)C1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H24FN/c17-15(14-5-4-12-18-14)13-6-10-16(11-7-13)8-2-1-3-9-16/h5,12-13,15H,1-4,6-11H2
InChIKeyFHZWCNHVUBIAAC-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.82
Rot. Bonds2

About 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole

5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole (PubChem CID 58525405) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole.

Molecular Properties

Compound Name5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole
PubChem CID58525405
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole
SMILESFC(C1=CCC=N1)C1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H24FN/c17-15(14-5-4-12-18-14)13-6-10-16(11-7-13)8-2-1-3-9-16/h5,12-13,15H,1-4,6-11H2
InChIKeyFHZWCNHVUBIAAC-UHFFFAOYSA-N
XLogP4.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole
CID 58531229
5-spiro[5.5]undecan-3-yl-3H-pyrrole
CID 58525396
5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152619
5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-3H-pyrrole
CID 59152622
5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-3H-pyrrole
CID 59152627
5-[2-(5-cyclohexylpentyl)cyclopropyl]-3H-pyrrole
CID 141854704

Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole?
The IUPAC name of 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole (CID 58525405) is 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole.
What is the SMILES notation for 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole?
The canonical SMILES for 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole is FC(C1=CCC=N1)C1CCC2(CCCCC2)CC1.
What is the InChIKey of 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole?
The InChIKey is FHZWCNHVUBIAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c17-15(14-5-4-12-18-14)13-6-10-16(11-7-13)8-2-1-3-9-16/h5,12-13,15H,1-4,6-11H2.
What are the key properties of 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole?
5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole has a molecular weight of 249.37 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole is sourced from PubChem (CID 58525405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).