(1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene

C11H10BrF — CID 134934603

IUPAC(1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESF[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Br
InChIInChI=1S/C11H10BrF/c12-11-8-5-9(13)10(11)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+,10-,11-/m1/s1
InChIKeyFUGPWTBHCQLLGS-LMLFDSFASA-N
MW241.10 g/mol
LogP3.37
Rot. Bonds

About (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene

(1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 134934603) has the molecular formula C11H10BrF and a molecular weight of 241.10 g/mol. Its IUPAC name is (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID134934603
Molecular FormulaC11H10BrF
Molecular Weight241.10 g/mol
Exact Mass239.99
IUPAC Name(1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESF[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Br
InChIInChI=1S/C11H10BrF/c12-11-8-5-9(13)10(11)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+,10-,11-/m1/s1
InChIKeyFUGPWTBHCQLLGS-LMLFDSFASA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 53.37
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

9-Bromofluorene
CID 16024
9-Bromo-9-phenylfluorene
CID 231624
2-bromo-2,3-dihydro-1H-indene
CID 10965463
1,2-Dibromo-1,2-dihydroacenaphthylene
CID 317558
1-bromo-2,3-dihydro-1H-indene
CID 10965462
1-(2-bromoethyl)-2,3-dihydro-1H-indene
CID 12322868
1,2,3,4-Tetrahydro-1,4-methanonaphthalene
CID 138272
1,2-Dibromoindane
CID 575766
2-(bromomethyl)-2,3-dihydro-1H-indene
CID 17932129
1-bromo-6-fluoro-2,3-dihydro-1H-indene
CID 61384892
1-bromo-4-fluoro-2,3-dihydro-1H-indene
CID 61384900
(1R,1aS,6aS)-1-bromo-1-fluoro-6,6a-dihydro-1aH-cyclopropa[a]indene
CID 16094009

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 134934603) is (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene is F[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Br.
What is the InChIKey of (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is FUGPWTBHCQLLGS-LMLFDSFASA-N. The full InChI is InChI=1S/C11H10BrF/c12-11-8-5-9(13)10(11)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+,10-,11-/m1/s1.
What are the key properties of (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 241.10 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9S,11R)-11-bromo-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 134934603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).