cis-(1R,2R)-1-chloro-2-ethylcyclopropane

C5H9Cl — CID 13214081

IUPACcis-(1R,2R)-1-chloro-2-ethylcyclopropane
SMILESCC[C@@H]1C[C@H]1Cl
InChIInChI=1S/C5H9Cl/c1-2-4-3-5(4)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyWWEAGJNNVGBMOF-RFZPGFLSSA-N
MW104.58 g/mol
LogP2.02
Rot. Bonds1

About cis-(1R,2R)-1-chloro-2-ethylcyclopropane

cis-(1R,2R)-1-chloro-2-ethylcyclopropane (PubChem CID 13214081) has the molecular formula C5H9Cl and a molecular weight of 104.58 g/mol. Its IUPAC name is cis-(1R,2R)-1-chloro-2-ethylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-1-chloro-2-ethylcyclopropane
PubChem CID13214081
Molecular FormulaC5H9Cl
Molecular Weight104.58 g/mol
Exact Mass104.04
IUPAC Namecis-(1R,2R)-1-chloro-2-ethylcyclopropane
SMILESCC[C@@H]1C[C@H]1Cl
InChIInChI=1S/C5H9Cl/c1-2-4-3-5(4)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyWWEAGJNNVGBMOF-RFZPGFLSSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.58
LogP ≤ 52.02
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 cis-(1R,2R)-1-chloro-2-ethylcyclopropane?
The IUPAC name of cis-(1R,2R)-1-chloro-2-ethylcyclopropane (CID 13214081) is cis-(1R,2R)-1-chloro-2-ethylcyclopropane.
What is the SMILES notation for cis-(1R,2R)-1-chloro-2-ethylcyclopropane?
The canonical SMILES for cis-(1R,2R)-1-chloro-2-ethylcyclopropane is CC[C@@H]1C[C@H]1Cl.
What is the InChIKey of cis-(1R,2R)-1-chloro-2-ethylcyclopropane?
The InChIKey is WWEAGJNNVGBMOF-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H9Cl/c1-2-4-3-5(4)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of cis-(1R,2R)-1-chloro-2-ethylcyclopropane?
cis-(1R,2R)-1-chloro-2-ethylcyclopropane has a molecular weight of 104.58 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-chloro-2-ethylcyclopropane is sourced from PubChem (CID 13214081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).