1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid

C8H13FO2 — CID 42626120

IUPAC1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C)(C)C1(F)C(=O)O
InChIInChI=1S/C8H13FO2/c1-6(2)7(3,4)8(6,9)5(10)11/h1-4H3,(H,10,11)
InChIKeyIYDNHVXGWUUYCV-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.85
Rot. Bonds1

About 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid

1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid (PubChem CID 42626120) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
PubChem CID42626120
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C)(C)C1(F)C(=O)O
InChIInChI=1S/C8H13FO2/c1-6(2)7(3,4)8(6,9)5(10)11/h1-4H3,(H,10,11)
InChIKeyIYDNHVXGWUUYCV-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid (CID 42626120) is 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid is CC1(C)C(C)(C)C1(F)C(=O)O.
What is the InChIKey of 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid?
The InChIKey is IYDNHVXGWUUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-6(2)7(3,4)8(6,9)5(10)11/h1-4H3,(H,10,11).
What are the key properties of 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid?
1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid has a molecular weight of 160.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 42626120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).