[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate

C15H12Cl2O6 — CID 1183207

IUPAC[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate
SMILESO=C(OC[C@H]1[C@H](COC(=O)c2ccco2)C1(Cl)Cl)c1ccco1
InChIInChI=1S/C15H12Cl2O6/c16-15(17)9(7-22-13(18)11-3-1-5-20-11)10(15)8-23-14(19)12-4-2-6-21-12/h1-6,9-10H,7-8H2/t9-,10-/m0/s1
InChIKeyZRHWGGXCTPEQFU-UWVGGRQHSA-N
MW359.16 g/mol
LogP3.31
Rot. Bonds6

About [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate

[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate (PubChem CID 1183207) has the molecular formula C15H12Cl2O6 and a molecular weight of 359.16 g/mol. Its IUPAC name is [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate
PubChem CID1183207
Molecular FormulaC15H12Cl2O6
Molecular Weight359.16 g/mol
Exact Mass358.00
IUPAC Name[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate
SMILESO=C(OC[C@H]1[C@H](COC(=O)c2ccco2)C1(Cl)Cl)c1ccco1
InChIInChI=1S/C15H12Cl2O6/c16-15(17)9(7-22-13(18)11-3-1-5-20-11)10(15)8-23-14(19)12-4-2-6-21-12/h1-6,9-10H,7-8H2/t9-,10-/m0/s1
InChIKeyZRHWGGXCTPEQFU-UWVGGRQHSA-N
XLogP3.31
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bromomethyl furan-2-carboxylate
CID 54363056
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145
[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate
CID 99795689
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
6-chlorohexyl furan-2-carboxylate
CID 91704997
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
3-trimethylstannylpropyl furan-2-carboxylate
CID 12901421
3-(furan-2-carbonyloxy)propane-1-sulfonic acid
CID 88573646
1,3-diaminopropan-2-yl furan-2-carboxylate;dihydrochloride
CID 139769684
naphthalen-1-ylmethyl furan-2-carboxylate
CID 926070
ethylsulfanylcarbonyloxymethyl furan-2-carboxylate
CID 14800947
[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate
CID 7891692

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate?
The IUPAC name of [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate (CID 1183207) is [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate.
What is the SMILES notation for [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate?
The canonical SMILES for [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate is O=C(OC[C@H]1[C@H](COC(=O)c2ccco2)C1(Cl)Cl)c1ccco1.
What is the InChIKey of [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate?
The InChIKey is ZRHWGGXCTPEQFU-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H12Cl2O6/c16-15(17)9(7-22-13(18)11-3-1-5-20-11)10(15)8-23-14(19)12-4-2-6-21-12/h1-6,9-10H,7-8H2/t9-,10-/m0/s1.
What are the key properties of [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate?
[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate has a molecular weight of 359.16 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate is sourced from PubChem (CID 1183207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).