4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol

C11H10BrFO — CID 169122676

IUPAC4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
SMILESOC1CC2CC1c1c(F)cc(Br)cc12
InChIInChI=1S/C11H10BrFO/c12-6-3-7-5-1-8(10(14)2-5)11(7)9(13)4-6/h3-5,8,10,14H,1-2H2
InChIKeyPNMGCDDZMLZAFW-UHFFFAOYSA-N
MW257.10 g/mol
LogP2.92
Rot. Bonds

About 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol

4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol (PubChem CID 169122676) has the molecular formula C11H10BrFO and a molecular weight of 257.10 g/mol. Its IUPAC name is 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol.

Molecular Properties

Compound Name4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
PubChem CID169122676
Molecular FormulaC11H10BrFO
Molecular Weight257.10 g/mol
Exact Mass255.99
IUPAC Name4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
SMILESOC1CC2CC1c1c(F)cc(Br)cc12
InChIInChI=1S/C11H10BrFO/c12-6-3-7-5-1-8(10(14)2-5)11(7)9(13)4-6/h3-5,8,10,14H,1-2H2
InChIKeyPNMGCDDZMLZAFW-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The IUPAC name of 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol (CID 169122676) is 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol.
What is the SMILES notation for 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The canonical SMILES for 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol is OC1CC2CC1c1c(F)cc(Br)cc12.
What is the InChIKey of 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
The InChIKey is PNMGCDDZMLZAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO/c12-6-3-7-5-1-8(10(14)2-5)11(7)9(13)4-6/h3-5,8,10,14H,1-2H2.
What are the key properties of 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol?
4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol has a molecular weight of 257.10 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol is sourced from PubChem (CID 169122676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).