[(1R,2S)-2-chlorocyclohexyl] formate

C7H11ClO2 — CID 131115202

IUPAC[(1R,2S)-2-chlorocyclohexyl] formate
SMILESO=CO[C@@H]1CCCC[C@@H]1Cl
InChIInChI=1S/C7H11ClO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4H2/t6-,7+/m0/s1
InChIKeyRTDMSFLMWWWXEY-NKWVEPMBSA-N
MW162.62 g/mol
LogP1.71
Rot. Bonds2

About [(1R,2S)-2-chlorocyclohexyl] formate

[(1R,2S)-2-chlorocyclohexyl] formate (PubChem CID 131115202) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is [(1R,2S)-2-chlorocyclohexyl] formate.

Molecular Properties

Compound Name[(1R,2S)-2-chlorocyclohexyl] formate
PubChem CID131115202
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name[(1R,2S)-2-chlorocyclohexyl] formate
SMILESO=CO[C@@H]1CCCC[C@@H]1Cl
InChIInChI=1S/C7H11ClO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4H2/t6-,7+/m0/s1
InChIKeyRTDMSFLMWWWXEY-NKWVEPMBSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-chlorocyclohexyl] formate?
The IUPAC name of [(1R,2S)-2-chlorocyclohexyl] formate (CID 131115202) is [(1R,2S)-2-chlorocyclohexyl] formate.
What is the SMILES notation for [(1R,2S)-2-chlorocyclohexyl] formate?
The canonical SMILES for [(1R,2S)-2-chlorocyclohexyl] formate is O=CO[C@@H]1CCCC[C@@H]1Cl.
What is the InChIKey of [(1R,2S)-2-chlorocyclohexyl] formate?
The InChIKey is RTDMSFLMWWWXEY-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H11ClO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4H2/t6-,7+/m0/s1.
What are the key properties of [(1R,2S)-2-chlorocyclohexyl] formate?
[(1R,2S)-2-chlorocyclohexyl] formate has a molecular weight of 162.62 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-chlorocyclohexyl] formate is sourced from PubChem (CID 131115202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).