2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane

C8H12Cl2 — CID 169002738

IUPAC2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane
SMILESClCC1C2CCC(C2)C1Cl
InChIInChI=1S/C8H12Cl2/c9-4-7-5-1-2-6(3-5)8(7)10/h5-8H,1-4H2
InChIKeyFMXQDGSRVDMRAQ-UHFFFAOYSA-N
MW179.09 g/mol
LogP2.88
Rot. Bonds1

About 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane

2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane (PubChem CID 169002738) has the molecular formula C8H12Cl2 and a molecular weight of 179.09 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane
PubChem CID169002738
Molecular FormulaC8H12Cl2
Molecular Weight179.09 g/mol
Exact Mass178.03
IUPAC Name2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane
SMILESClCC1C2CCC(C2)C1Cl
InChIInChI=1S/C8H12Cl2/c9-4-7-5-1-2-6(3-5)8(7)10/h5-8H,1-4H2
InChIKeyFMXQDGSRVDMRAQ-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.09
LogP ≤ 52.88
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

2,3-dichlorobicyclo[2.2.1]heptane
CID 3613638
2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane
CID 67459259
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632
(1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane
CID 131091370
(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
CID 130827035
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
[3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane
CID 58351236
[[(1R,2R,4R,7S)-7-chloro-2-bicyclo[2.2.1]heptanyl]methylamino]urea
CID 98513307
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
(1R,4S)-3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18634641
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane (CID 169002738) is 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane is ClCC1C2CCC(C2)C1Cl.
What is the InChIKey of 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane?
The InChIKey is FMXQDGSRVDMRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2/c9-4-7-5-1-2-6(3-5)8(7)10/h5-8H,1-4H2.
What are the key properties of 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane?
2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane has a molecular weight of 179.09 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 169002738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).