(7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid

C12H10F2O4 — CID 138596948

IUPAC(7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C12H10F2O4/c1-11(10(15)16)3-2-6-4-8-9(5-7(6)11)18-12(13,14)17-8/h4-5H,2-3H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyJHKWCXSFLLOTFW-LLVKDONJSA-N
MW256.20 g/mol
LogP2.30
Rot. Bonds1

About (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid

(7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid (PubChem CID 138596948) has the molecular formula C12H10F2O4 and a molecular weight of 256.20 g/mol. Its IUPAC name is (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid
PubChem CID138596948
Molecular FormulaC12H10F2O4
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name(7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C12H10F2O4/c1-11(10(15)16)3-2-6-4-8-9(5-7(6)11)18-12(13,14)17-8/h4-5H,2-3H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyJHKWCXSFLLOTFW-LLVKDONJSA-N
XLogP2.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid?
The IUPAC name of (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid (CID 138596948) is (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid.
What is the SMILES notation for (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid?
The canonical SMILES for (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid is C[C@@]1(C(=O)O)CCc2cc3c(cc21)OC(F)(F)O3.
What is the InChIKey of (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid?
The InChIKey is JHKWCXSFLLOTFW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10F2O4/c1-11(10(15)16)3-2-6-4-8-9(5-7(6)11)18-12(13,14)17-8/h4-5H,2-3H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid?
(7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid has a molecular weight of 256.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid is sourced from PubChem (CID 138596948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).