9-(3-bromopropyl)fluorene-9-carbonitrile

C17H14BrN — CID 13492806

IUPAC9-(3-bromopropyl)fluorene-9-carbonitrile
SMILESN#CC1(CCCBr)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14BrN/c18-11-5-10-17(12-19)15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9H,5,10-11H2
InChIKeyUALXTDLUBAOQET-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.65
Rot. Bonds3

About 9-(3-bromopropyl)fluorene-9-carbonitrile

9-(3-bromopropyl)fluorene-9-carbonitrile (PubChem CID 13492806) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 9-(3-bromopropyl)fluorene-9-carbonitrile.

Molecular Properties

Compound Name9-(3-bromopropyl)fluorene-9-carbonitrile
PubChem CID13492806
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name9-(3-bromopropyl)fluorene-9-carbonitrile
SMILESN#CC1(CCCBr)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14BrN/c18-11-5-10-17(12-19)15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9H,5,10-11H2
InChIKeyUALXTDLUBAOQET-UHFFFAOYSA-N
XLogP4.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(3-bromopropyl)fluorene-9-carbonitrile?
The IUPAC name of 9-(3-bromopropyl)fluorene-9-carbonitrile (CID 13492806) is 9-(3-bromopropyl)fluorene-9-carbonitrile.
What is the SMILES notation for 9-(3-bromopropyl)fluorene-9-carbonitrile?
The canonical SMILES for 9-(3-bromopropyl)fluorene-9-carbonitrile is N#CC1(CCCBr)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-bromopropyl)fluorene-9-carbonitrile?
The InChIKey is UALXTDLUBAOQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c18-11-5-10-17(12-19)15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9H,5,10-11H2.
What are the key properties of 9-(3-bromopropyl)fluorene-9-carbonitrile?
9-(3-bromopropyl)fluorene-9-carbonitrile has a molecular weight of 312.21 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromopropyl)fluorene-9-carbonitrile is sourced from PubChem (CID 13492806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).