2-bromospiro[cyclohexane-1,9'-fluorene]

C18H17Br — CID 69346071

IUPAC2-bromospiro[cyclohexane-1,9'-fluorene]
SMILESBrC1CCCCC12c1ccccc1-c1ccccc12
InChIInChI=1S/C18H17Br/c19-17-11-5-6-12-18(17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10,17H,5-6,11-12H2
InChIKeyDECGBFLDUBTCAM-UHFFFAOYSA-N
MW313.24 g/mol
LogP5.29
Rot. Bonds

About 2-bromospiro[cyclohexane-1,9'-fluorene]

2-bromospiro[cyclohexane-1,9'-fluorene] (PubChem CID 69346071) has the molecular formula C18H17Br and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-bromospiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name2-bromospiro[cyclohexane-1,9'-fluorene]
PubChem CID69346071
Molecular FormulaC18H17Br
Molecular Weight313.24 g/mol
Exact Mass312.05
IUPAC Name2-bromospiro[cyclohexane-1,9'-fluorene]
SMILESBrC1CCCCC12c1ccccc1-c1ccccc12
InChIInChI=1S/C18H17Br/c19-17-11-5-6-12-18(17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10,17H,5-6,11-12H2
InChIKeyDECGBFLDUBTCAM-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.24
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-bromospiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of 2-bromospiro[cyclohexane-1,9'-fluorene] (CID 69346071) is 2-bromospiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for 2-bromospiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for 2-bromospiro[cyclohexane-1,9'-fluorene] is BrC1CCCCC12c1ccccc1-c1ccccc12.
What is the InChIKey of 2-bromospiro[cyclohexane-1,9'-fluorene]?
The InChIKey is DECGBFLDUBTCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br/c19-17-11-5-6-12-18(17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10,17H,5-6,11-12H2.
What are the key properties of 2-bromospiro[cyclohexane-1,9'-fluorene]?
2-bromospiro[cyclohexane-1,9'-fluorene] has a molecular weight of 313.24 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromospiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 69346071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).