2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane

C14H23Cl — CID 130609858

IUPAC2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane
SMILESCC1(C)C(CCl)C1(C)C1CC2CCC1C2
InChIInChI=1S/C14H23Cl/c1-13(2)12(8-15)14(13,3)11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3
InChIKeyNHZOTIMIUGTQCL-UHFFFAOYSA-N
MW226.79 g/mol
LogP4.32
Rot. Bonds2

About 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane

2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane (PubChem CID 130609858) has the molecular formula C14H23Cl and a molecular weight of 226.79 g/mol. Its IUPAC name is 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane
PubChem CID130609858
Molecular FormulaC14H23Cl
Molecular Weight226.79 g/mol
Exact Mass226.15
IUPAC Name2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane
SMILESCC1(C)C(CCl)C1(C)C1CC2CCC1C2
InChIInChI=1S/C14H23Cl/c1-13(2)12(8-15)14(13,3)11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3
InChIKeyNHZOTIMIUGTQCL-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.79
LogP ≤ 54.32
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

(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
CID 72700642
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
1-[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]-N-methylmethanamine
CID 130494580
[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine
CID 130494579
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 114246431
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-ol
CID 116540023
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
CID 79559407
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
CID 19890420
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one
CID 116538621

Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane (CID 130609858) is 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane is CC1(C)C(CCl)C1(C)C1CC2CCC1C2.
What is the InChIKey of 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane?
The InChIKey is NHZOTIMIUGTQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl/c1-13(2)12(8-15)14(13,3)11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane?
2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane has a molecular weight of 226.79 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 130609858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).