1,1-bis(chloromethyl)cyclopropane

C5H8Cl2 — CID 55302935

IUPAC1,1-bis(chloromethyl)cyclopropane
SMILESClCC1(CCl)CC1
InChIInChI=1S/C5H8Cl2/c6-3-5(4-7)1-2-5/h1-4H2
InChIKeyYWAPSFSUTMNTTA-UHFFFAOYSA-N
MW139.03 g/mol
LogP2.24
Rot. Bonds2

About 1,1-bis(chloromethyl)cyclopropane

1,1-bis(chloromethyl)cyclopropane (PubChem CID 55302935) has the molecular formula C5H8Cl2 and a molecular weight of 139.03 g/mol. Its IUPAC name is 1,1-bis(chloromethyl)cyclopropane.

Molecular Properties

Compound Name1,1-bis(chloromethyl)cyclopropane
PubChem CID55302935
Molecular FormulaC5H8Cl2
Molecular Weight139.03 g/mol
Exact Mass138.00
IUPAC Name1,1-bis(chloromethyl)cyclopropane
SMILESClCC1(CCl)CC1
InChIInChI=1S/C5H8Cl2/c6-3-5(4-7)1-2-5/h1-4H2
InChIKeyYWAPSFSUTMNTTA-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.03
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(chloromethyl)cyclopropane?
The IUPAC name of 1,1-bis(chloromethyl)cyclopropane (CID 55302935) is 1,1-bis(chloromethyl)cyclopropane.
What is the SMILES notation for 1,1-bis(chloromethyl)cyclopropane?
The canonical SMILES for 1,1-bis(chloromethyl)cyclopropane is ClCC1(CCl)CC1.
What is the InChIKey of 1,1-bis(chloromethyl)cyclopropane?
The InChIKey is YWAPSFSUTMNTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2/c6-3-5(4-7)1-2-5/h1-4H2.
What are the key properties of 1,1-bis(chloromethyl)cyclopropane?
1,1-bis(chloromethyl)cyclopropane has a molecular weight of 139.03 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(chloromethyl)cyclopropane is sourced from PubChem (CID 55302935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).