2-(dichloromethyl)bicyclo[3.1.0]hexane

C7H10Cl2 — CID 74080597

IUPAC2-(dichloromethyl)bicyclo[3.1.0]hexane
SMILESClC(Cl)C1CCC2CC21
InChIInChI=1S/C7H10Cl2/c8-7(9)5-2-1-4-3-6(4)5/h4-7H,1-3H2
InChIKeyQZBCPYSFRQSROI-UHFFFAOYSA-N
MW165.06 g/mol
LogP2.84
Rot. Bonds1

About 2-(dichloromethyl)bicyclo[3.1.0]hexane

2-(dichloromethyl)bicyclo[3.1.0]hexane (PubChem CID 74080597) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 2-(dichloromethyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(dichloromethyl)bicyclo[3.1.0]hexane
PubChem CID74080597
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name2-(dichloromethyl)bicyclo[3.1.0]hexane
SMILESClC(Cl)C1CCC2CC21
InChIInChI=1S/C7H10Cl2/c8-7(9)5-2-1-4-3-6(4)5/h4-7H,1-3H2
InChIKeyQZBCPYSFRQSROI-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 52.84
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)-1-cyclopropyl-2-(dichloromethyl)cyclopropane
CID 89470038
2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane
CID 130526320
(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane
CID 101447232
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
tricyclo[3.3.0.02,7]octane
CID 13112141
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
1-(2-cyclopropylcyclopropyl)ethanol
CID 130149488

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)bicyclo[3.1.0]hexane?
The IUPAC name of 2-(dichloromethyl)bicyclo[3.1.0]hexane (CID 74080597) is 2-(dichloromethyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(dichloromethyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 2-(dichloromethyl)bicyclo[3.1.0]hexane is ClC(Cl)C1CCC2CC21.
What is the InChIKey of 2-(dichloromethyl)bicyclo[3.1.0]hexane?
The InChIKey is QZBCPYSFRQSROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c8-7(9)5-2-1-4-3-6(4)5/h4-7H,1-3H2.
What are the key properties of 2-(dichloromethyl)bicyclo[3.1.0]hexane?
2-(dichloromethyl)bicyclo[3.1.0]hexane has a molecular weight of 165.06 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 74080597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).