cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid

C11H15FO6 — CID 118911921

IUPACcis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid
SMILESCC(=O)O[C@@]1([C@H]2COC(C)(C)O2)C[C@]1(F)C(=O)O
InChIInChI=1S/C11H15FO6/c1-6(13)17-11(5-10(11,12)8(14)15)7-4-16-9(2,3)18-7/h7H,4-5H2,1-3H3,(H,14,15)/t7-,10+,11-/m1/s1
InChIKeyDNANAHBZNXHSQC-PPKCKEKNSA-N
MW262.23 g/mol
LogP0.64
Rot. Bonds3

About cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid

cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid (PubChem CID 118911921) has the molecular formula C11H15FO6 and a molecular weight of 262.23 g/mol. Its IUPAC name is cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid
PubChem CID118911921
Molecular FormulaC11H15FO6
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Namecis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid
SMILESCC(=O)O[C@@]1([C@H]2COC(C)(C)O2)C[C@]1(F)C(=O)O
InChIInChI=1S/C11H15FO6/c1-6(13)17-11(5-10(11,12)8(14)15)7-4-16-9(2,3)18-7/h7H,4-5H2,1-3H3,(H,14,15)/t7-,10+,11-/m1/s1
InChIKeyDNANAHBZNXHSQC-PPKCKEKNSA-N
XLogP0.64
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde
CID 118911984
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
CID 69349368
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
potassium;(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydride
CID 173083628
(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxane-4-carboxylic acid
CID 126712187
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 69412912
(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylbut-2-enoic acid
CID 68635756
(6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid
CID 139036159
(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 171036232

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid (CID 118911921) is cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid is CC(=O)O[C@@]1([C@H]2COC(C)(C)O2)C[C@]1(F)C(=O)O.
What is the InChIKey of cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid?
The InChIKey is DNANAHBZNXHSQC-PPKCKEKNSA-N. The full InChI is InChI=1S/C11H15FO6/c1-6(13)17-11(5-10(11,12)8(14)15)7-4-16-9(2,3)18-7/h7H,4-5H2,1-3H3,(H,14,15)/t7-,10+,11-/m1/s1.
What are the key properties of cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 118911921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).