6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol

C9H11BrF4O — CID 139995600

IUPAC6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC1C(C(F)(F)C(F)(F)Br)C2
InChIInChI=1S/C9H11BrF4O/c10-9(13,14)8(11,12)6-2-4-1-5(6)7(15)3-4/h4-7,15H,1-3H2
InChIKeyDRAOTYZRLYBBOA-UHFFFAOYSA-N
MW291.08 g/mol
LogP3.02
Rot. Bonds2

About 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol

6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 139995600) has the molecular formula C9H11BrF4O and a molecular weight of 291.08 g/mol. Its IUPAC name is 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID139995600
Molecular FormulaC9H11BrF4O
Molecular Weight291.08 g/mol
Exact Mass289.99
IUPAC Name6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC1C(C(F)(F)C(F)(F)Br)C2
InChIInChI=1S/C9H11BrF4O/c10-9(13,14)8(11,12)6-2-4-1-5(6)7(15)3-4/h4-7,15H,1-3H2
InChIKeyDRAOTYZRLYBBOA-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.08
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol (CID 139995600) is 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol is OC1CC2CC1C(C(F)(F)C(F)(F)Br)C2.
What is the InChIKey of 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is DRAOTYZRLYBBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF4O/c10-9(13,14)8(11,12)6-2-4-1-5(6)7(15)3-4/h4-7,15H,1-3H2.
What are the key properties of 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol?
6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 291.08 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 139995600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).