cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane

C6H11Cl — CID 59618199

IUPACcis-(1R,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-PHDIDXHHSA-N
MW118.61 g/mol
LogP2.27
Rot. Bonds1

About cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane

cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane (PubChem CID 59618199) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane
PubChem CID59618199
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Namecis-(1R,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-PHDIDXHHSA-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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Related Compounds

cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
2,5-dichloro-4-propan-2-ylpiperidine
CID 130205385
1-chloro-2-propan-2-ylcyclobutane
CID 174662999
trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
CID 172588830
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
2-chloro-4-methyl-1-propan-2-ylcyclohexane;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 157349936

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane?
The IUPAC name of cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane (CID 59618199) is cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane.
What is the SMILES notation for cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane?
The canonical SMILES for cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane is CC(C)[C@H]1C[C@H]1Cl.
What is the InChIKey of cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane?
The InChIKey is FXRQFZDGPFNCPS-PHDIDXHHSA-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 cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane?
cis-(1R,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 cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane is sourced from PubChem (CID 59618199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).