(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol

C8H13BrO — CID 130792617

IUPAC(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@H]1C[C@@H]2C[C@H](CBr)[C@@H]1C2
InChIInChI=1S/C8H13BrO/c9-4-6-1-5-2-7(6)8(10)3-5/h5-8,10H,1-4H2/t5-,6-,7+,8+/m1/s1
InChIKeyXNCLLEFPDGISRA-NGJRWZKOSA-N
MW205.09 g/mol
LogP1.79
Rot. Bonds1

About (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol

(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 130792617) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID130792617
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@H]1C[C@@H]2C[C@H](CBr)[C@@H]1C2
InChIInChI=1S/C8H13BrO/c9-4-6-1-5-2-7(6)8(10)3-5/h5-8,10H,1-4H2/t5-,6-,7+,8+/m1/s1
InChIKeyXNCLLEFPDGISRA-NGJRWZKOSA-N
XLogP1.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S,6R)-6-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792026
(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol
CID 124925363
2-(bromomethyl)bicyclo[2.1.1]hexane
CID 155821569
(6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate
CID 59602458
1,2,4,5-tetrakis(bromomethyl)cyclohexane
CID 126505487
(1S)-1,2-bis(bromomethyl)cyclopropane
CID 90178479
6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol
CID 139995600
(2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol
CID 2825181
(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
CID 12649513
(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol
CID 139094019
(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 12618488
(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 130944389

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol (CID 130792617) is (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol is O[C@H]1C[C@@H]2C[C@H](CBr)[C@@H]1C2.
What is the InChIKey of (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is XNCLLEFPDGISRA-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H13BrO/c9-4-6-1-5-2-7(6)8(10)3-5/h5-8,10H,1-4H2/t5-,6-,7+,8+/m1/s1.
What are the key properties of (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 205.09 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 130792617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).