2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid

C11H10F2O3 — CID 114520026

IUPAC2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1ccc(OC2CC2)cc1
InChIInChI=1S/C11H10F2O3/c12-11(13,10(14)15)7-1-3-8(4-2-7)16-9-5-6-9/h1-4,9H,5-6H2,(H,14,15)
InChIKeyKPOPIMPOTZPMJP-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid

2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid (PubChem CID 114520026) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid
PubChem CID114520026
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1ccc(OC2CC2)cc1
InChIInChI=1S/C11H10F2O3/c12-11(13,10(14)15)7-1-3-8(4-2-7)16-9-5-6-9/h1-4,9H,5-6H2,(H,14,15)
InChIKeyKPOPIMPOTZPMJP-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid (CID 114520026) is 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid?
The InChIKey is KPOPIMPOTZPMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-11(13,10(14)15)7-1-3-8(4-2-7)16-9-5-6-9/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid?
2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid has a molecular weight of 228.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 114520026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).