methyl 2-(2,2-difluorocyclopropyl)benzoate

C11H10F2O2 — CID 121314140

IUPACmethyl 2-(2,2-difluorocyclopropyl)benzoate
SMILESCOC(=O)c1ccccc1C1CC1(F)F
InChIInChI=1S/C11H10F2O2/c1-15-10(14)8-5-3-2-4-7(8)9-6-11(9,12)13/h2-5,9H,6H2,1H3
InChIKeyIQKKHQIZJXHAOT-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.60
Rot. Bonds2

About methyl 2-(2,2-difluorocyclopropyl)benzoate

methyl 2-(2,2-difluorocyclopropyl)benzoate (PubChem CID 121314140) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is methyl 2-(2,2-difluorocyclopropyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,2-difluorocyclopropyl)benzoate
PubChem CID121314140
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Namemethyl 2-(2,2-difluorocyclopropyl)benzoate
SMILESCOC(=O)c1ccccc1C1CC1(F)F
InChIInChI=1S/C11H10F2O2/c1-15-10(14)8-5-3-2-4-7(8)9-6-11(9,12)13/h2-5,9H,6H2,1H3
InChIKeyIQKKHQIZJXHAOT-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 2-(4-oxocyclohexyl)benzoate
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methyl 2-(2-phenylcyclopropyl)benzoate
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methyl 2-(9H-xanthen-9-yl)benzoate
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sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
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CID 156768354

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-difluorocyclopropyl)benzoate?
The IUPAC name of methyl 2-(2,2-difluorocyclopropyl)benzoate (CID 121314140) is methyl 2-(2,2-difluorocyclopropyl)benzoate.
What is the SMILES notation for methyl 2-(2,2-difluorocyclopropyl)benzoate?
The canonical SMILES for methyl 2-(2,2-difluorocyclopropyl)benzoate is COC(=O)c1ccccc1C1CC1(F)F.
What is the InChIKey of methyl 2-(2,2-difluorocyclopropyl)benzoate?
The InChIKey is IQKKHQIZJXHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-15-10(14)8-5-3-2-4-7(8)9-6-11(9,12)13/h2-5,9H,6H2,1H3.
What are the key properties of methyl 2-(2,2-difluorocyclopropyl)benzoate?
methyl 2-(2,2-difluorocyclopropyl)benzoate has a molecular weight of 212.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-difluorocyclopropyl)benzoate is sourced from PubChem (CID 121314140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).