methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate

C11H10F2O3 — CID 90118121

IUPACmethyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H10F2O3/c1-16-11(15)7-4-6(7)5-2-8(12)10(14)9(13)3-5/h2-3,6-7,14H,4H2,1H3
InChIKeyJNSDFHZXJOISQU-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.95
Rot. Bonds2

About methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate

methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate (PubChem CID 90118121) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate
PubChem CID90118121
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H10F2O3/c1-16-11(15)7-4-6(7)5-2-8(12)10(14)9(13)3-5/h2-3,6-7,14H,4H2,1H3
InChIKeyJNSDFHZXJOISQU-UHFFFAOYSA-N
XLogP1.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate (CID 90118121) is methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate is COC(=O)C1CC1c1cc(F)c(O)c(F)c1.
What is the InChIKey of methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate?
The InChIKey is JNSDFHZXJOISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c1-16-11(15)7-4-6(7)5-2-8(12)10(14)9(13)3-5/h2-3,6-7,14H,4H2,1H3.
What are the key properties of methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate?
methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate has a molecular weight of 228.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-difluoro-4-hydroxyphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90118121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).