methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate

C9H12F2O2 — CID 141099553

IUPACmethyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
SMILESCOC(=O)CC1CC2C(C1)C2(F)F
InChIInChI=1S/C9H12F2O2/c1-13-8(12)4-5-2-6-7(3-5)9(6,10)11/h5-7H,2-4H2,1H3
InChIKeyVARKVTRWVFXMQA-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.84
Rot. Bonds2

About methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate

methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate (PubChem CID 141099553) has the molecular formula C9H12F2O2 and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
PubChem CID141099553
Molecular FormulaC9H12F2O2
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
SMILESCOC(=O)CC1CC2C(C1)C2(F)F
InChIInChI=1S/C9H12F2O2/c1-13-8(12)4-5-2-6-7(3-5)9(6,10)11/h5-7H,2-4H2,1H3
InChIKeyVARKVTRWVFXMQA-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate 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 methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate?
The IUPAC name of methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate (CID 141099553) is methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate.
What is the SMILES notation for methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate?
The canonical SMILES for methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate is COC(=O)CC1CC2C(C1)C2(F)F.
What is the InChIKey of methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate?
The InChIKey is VARKVTRWVFXMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O2/c1-13-8(12)4-5-2-6-7(3-5)9(6,10)11/h5-7H,2-4H2,1H3.
What are the key properties of methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate?
methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate has a molecular weight of 190.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate is sourced from PubChem (CID 141099553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).