(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane

C8H13Cl — CID 55301828

IUPAC(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
SMILESClC[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H13Cl/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2/t6-,7+,8+/m0/s1
InChIKeyAJUNCBWYYOFIGU-XLPZGREQSA-N
MW144.64 g/mol
LogP2.66
Rot. Bonds1

About (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane

(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane (PubChem CID 55301828) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
PubChem CID55301828
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
SMILESClC[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H13Cl/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2/t6-,7+,8+/m0/s1
InChIKeyAJUNCBWYYOFIGU-XLPZGREQSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 52.66
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

(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
2-bicyclo[2.2.1]heptanylmethylphosphane
CID 58351251
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
O-(2-bicyclo[2.2.1]heptanylmethyl)hydroxylamine;hydrochloride
CID 67132086
bis[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl] [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl borate
CID 124937601
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
(2S)-1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)pyrrolidine
CID 164644249

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane (CID 55301828) is (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane is ClC[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane?
The InChIKey is AJUNCBWYYOFIGU-XLPZGREQSA-N. The full InChI is InChI=1S/C8H13Cl/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2/t6-,7+,8+/m0/s1.
What are the key properties of (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane?
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane has a molecular weight of 144.64 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 55301828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).