2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid

C10H17FO3 — CID 79357232

IUPAC2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid
SMILESCC1CCC(OC(F)C(=O)O)CC1C
InChIInChI=1S/C10H17FO3/c1-6-3-4-8(5-7(6)2)14-9(11)10(12)13/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyXUQJPHKCIOUVFN-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.21
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid

2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid (PubChem CID 79357232) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid
PubChem CID79357232
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid
SMILESCC1CCC(OC(F)C(=O)O)CC1C
InChIInChI=1S/C10H17FO3/c1-6-3-4-8(5-7(6)2)14-9(11)10(12)13/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyXUQJPHKCIOUVFN-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic 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 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid (CID 79357232) is 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid is CC1CCC(OC(F)C(=O)O)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid?
The InChIKey is XUQJPHKCIOUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-6-3-4-8(5-7(6)2)14-9(11)10(12)13/h6-9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid?
2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid has a molecular weight of 204.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid is sourced from PubChem (CID 79357232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).