trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane

C6H11Cl — CID 59618404

IUPACtrans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane
SMILESCC(C)[C@H]1C[C@@H]1Cl
InChIInChI=1S/C6H11Cl/c1-4(2)5-3-6(5)7/h4-6H,3H2,1-2H3/t5-,6+/m1/s1
InChIKeyFXRQFZDGPFNCPS-RITPCOANSA-N
MW118.61 g/mol
LogP2.27
Rot. Bonds1

About trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane

trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane (PubChem CID 59618404) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane
PubChem CID59618404
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Nametrans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane
SMILESCC(C)[C@H]1C[C@@H]1Cl
InChIInChI=1S/C6H11Cl/c1-4(2)5-3-6(5)7/h4-6H,3H2,1-2H3/t5-,6+/m1/s1
InChIKeyFXRQFZDGPFNCPS-RITPCOANSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.27
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 trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane?
The IUPAC name of trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane (CID 59618404) is trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane.
What is the SMILES notation for trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane?
The canonical SMILES for trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane is CC(C)[C@H]1C[C@@H]1Cl.
What is the InChIKey of trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane?
The InChIKey is FXRQFZDGPFNCPS-RITPCOANSA-N. The full InChI is InChI=1S/C6H11Cl/c1-4(2)5-3-6(5)7/h4-6H,3H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane?
trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane has a molecular weight of 118.61 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-chloro-2-propan-2-ylcyclopropane is sourced from PubChem (CID 59618404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).