1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride

C15H15ClF2O3 — CID 134452715

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C)(C)C1(C(=O)Cl)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C15H15ClF2O3/c1-12(2)13(3,4)14(12,11(16)19)8-5-6-9-10(7-8)21-15(17,18)20-9/h5-7H,1-4H3
InChIKeyCFNSJVHAINKZRC-UHFFFAOYSA-N
MW316.73 g/mol
LogP4.08
Rot. Bonds2

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride (PubChem CID 134452715) has the molecular formula C15H15ClF2O3 and a molecular weight of 316.73 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
PubChem CID134452715
Molecular FormulaC15H15ClF2O3
Molecular Weight316.73 g/mol
Exact Mass316.07
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C)(C)C1(C(=O)Cl)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C15H15ClF2O3/c1-12(2)13(3,4)14(12,11(16)19)8-5-6-9-10(7-8)21-15(17,18)20-9/h5-7H,1-4H3
InChIKeyCFNSJVHAINKZRC-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride (CID 134452715) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride is CC1(C)C(C)(C)C1(C(=O)Cl)c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The InChIKey is CFNSJVHAINKZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2O3/c1-12(2)13(3,4)14(12,11(16)19)8-5-6-9-10(7-8)21-15(17,18)20-9/h5-7H,1-4H3.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride has a molecular weight of 316.73 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 134452715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).