3-(2-fluoropropoxy)-2-methylpropanoic acid

C7H13FO3 — CID 84651804

IUPAC3-(2-fluoropropoxy)-2-methylpropanoic acid
SMILESCC(F)COCC(C)C(=O)O
InChIInChI=1S/C7H13FO3/c1-5(7(9)10)3-11-4-6(2)8/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyCITVLUCXZNEVCL-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.08
Rot. Bonds5

About 3-(2-fluoropropoxy)-2-methylpropanoic acid

3-(2-fluoropropoxy)-2-methylpropanoic acid (PubChem CID 84651804) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is 3-(2-fluoropropoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-fluoropropoxy)-2-methylpropanoic acid
PubChem CID84651804
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name3-(2-fluoropropoxy)-2-methylpropanoic acid
SMILESCC(F)COCC(C)C(=O)O
InChIInChI=1S/C7H13FO3/c1-5(7(9)10)3-11-4-6(2)8/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyCITVLUCXZNEVCL-UHFFFAOYSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropoxy)-2-methylpropanoic acid?
The IUPAC name of 3-(2-fluoropropoxy)-2-methylpropanoic acid (CID 84651804) is 3-(2-fluoropropoxy)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-fluoropropoxy)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-fluoropropoxy)-2-methylpropanoic acid is CC(F)COCC(C)C(=O)O.
What is the InChIKey of 3-(2-fluoropropoxy)-2-methylpropanoic acid?
The InChIKey is CITVLUCXZNEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3/c1-5(7(9)10)3-11-4-6(2)8/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-(2-fluoropropoxy)-2-methylpropanoic acid?
3-(2-fluoropropoxy)-2-methylpropanoic acid has a molecular weight of 164.18 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropoxy)-2-methylpropanoic acid is sourced from PubChem (CID 84651804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).