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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Related Compounds

[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid
CID 125469948
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
9-cyclopentyl-9-phenylfluorene
CID 59853281
pentacyclo[6.6.6.01,19.02,7.09,14]icosa-2,4,6,9,11,13-hexaene
CID 167615076
(4aS,10aR)-4a-isocyanato-1,2,3,4,10,10a-hexahydrophenanthren-9-one
CID 15657744
2-bromospiro[cyclopentane-1,1'-indene]
CID 175498392
(9,9-dicyclopentylfluoren-2-yl)boronic acid
CID 86036873
3-cyclohexyl-3-phenyl-2H-isoindol-1-one
CID 134952980
2-ethenylspiro[cyclopropane-1,9'-fluorene]
CID 13264667
dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane
CID 102393553
(3aR,7aS)-7a-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
CID 58954920
(4R)-2'-bromo-2-phenylspiro[3,1-benzoxazine-4,1'-cyclohexane]
CID 134946305

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).