3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid

C14H14F2O4 — CID 103551753

IUPAC3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(F)c(C(=O)C2CCC(C(=O)O)C2)c(F)c1
InChIInChI=1S/C14H14F2O4/c1-20-9-5-10(15)12(11(16)6-9)13(17)7-2-3-8(4-7)14(18)19/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyJZVLYSXOBXZZNV-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.66
Rot. Bonds4

About 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid

3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 103551753) has the molecular formula C14H14F2O4 and a molecular weight of 284.26 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid
PubChem CID103551753
Molecular FormulaC14H14F2O4
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(F)c(C(=O)C2CCC(C(=O)O)C2)c(F)c1
InChIInChI=1S/C14H14F2O4/c1-20-9-5-10(15)12(11(16)6-9)13(17)7-2-3-8(4-7)14(18)19/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyJZVLYSXOBXZZNV-UHFFFAOYSA-N
XLogP2.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid (CID 103551753) is 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid is COc1cc(F)c(C(=O)C2CCC(C(=O)O)C2)c(F)c1.
What is the InChIKey of 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is JZVLYSXOBXZZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O4/c1-20-9-5-10(15)12(11(16)6-9)13(17)7-2-3-8(4-7)14(18)19/h5-8H,2-4H2,1H3,(H,18,19).
What are the key properties of 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid?
3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 284.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).