cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid

C11H10F2O2 — CID 94256560

IUPACcis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@]1(c2cc(F)ccc2F)C[C@H]1C(=O)O
InChIInChI=1S/C11H10F2O2/c1-11(5-8(11)10(14)15)7-4-6(12)2-3-9(7)13/h2-4,8H,5H2,1H3,(H,14,15)/t8-,11+/m0/s1
InChIKeyHVVFKZKWIQXEFG-GZMMTYOYSA-N
MW212.19 g/mol
LogP2.33
Rot. Bonds2

About cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 94256560) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID94256560
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Namecis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@]1(c2cc(F)ccc2F)C[C@H]1C(=O)O
InChIInChI=1S/C11H10F2O2/c1-11(5-8(11)10(14)15)7-4-6(12)2-3-9(7)13/h2-4,8H,5H2,1H3,(H,14,15)/t8-,11+/m0/s1
InChIKeyHVVFKZKWIQXEFG-GZMMTYOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid (CID 94256560) is cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid is C[C@]1(c2cc(F)ccc2F)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is HVVFKZKWIQXEFG-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-11(5-8(11)10(14)15)7-4-6(12)2-3-9(7)13/h2-4,8H,5H2,1H3,(H,14,15)/t8-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 212.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 94256560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).