(2-fluorocyclopropyl) 2,2-dimethylpropanoate

C8H13FO2 — CID 174520410

IUPAC(2-fluorocyclopropyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC1F
InChIInChI=1S/C8H13FO2/c1-8(2,3)7(10)11-6-4-5(6)9/h5-6H,4H2,1-3H3
InChIKeyPPQAQJBTRYAYRE-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.69
Rot. Bonds1

About (2-fluorocyclopropyl) 2,2-dimethylpropanoate

(2-fluorocyclopropyl) 2,2-dimethylpropanoate (PubChem CID 174520410) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (2-fluorocyclopropyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-fluorocyclopropyl) 2,2-dimethylpropanoate
PubChem CID174520410
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(2-fluorocyclopropyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC1F
InChIInChI=1S/C8H13FO2/c1-8(2,3)7(10)11-6-4-5(6)9/h5-6H,4H2,1-3H3
InChIKeyPPQAQJBTRYAYRE-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluorocyclopropyl) 2,2-dimethylpropanoate 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-fluorocyclopropyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-fluorocyclopropyl) 2,2-dimethylpropanoate (CID 174520410) is (2-fluorocyclopropyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-fluorocyclopropyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-fluorocyclopropyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CC1F.
What is the InChIKey of (2-fluorocyclopropyl) 2,2-dimethylpropanoate?
The InChIKey is PPQAQJBTRYAYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-8(2,3)7(10)11-6-4-5(6)9/h5-6H,4H2,1-3H3.
What are the key properties of (2-fluorocyclopropyl) 2,2-dimethylpropanoate?
(2-fluorocyclopropyl) 2,2-dimethylpropanoate has a molecular weight of 160.19 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopropyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174520410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).