methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate

C12H11ClF2O3 — CID 171787737

IUPACmethyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1c2c(cc(Cl)c1OC(F)F)CCC2
InChIInChI=1S/C12H11ClF2O3/c1-17-11(16)9-7-4-2-3-6(7)5-8(13)10(9)18-12(14)15/h5,12H,2-4H2,1H3
InChIKeyVVVJJMYSCRCVJL-UHFFFAOYSA-N
MW276.67 g/mol
LogP3.22
Rot. Bonds3

About methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate

methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 171787737) has the molecular formula C12H11ClF2O3 and a molecular weight of 276.67 g/mol. Its IUPAC name is methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID171787737
Molecular FormulaC12H11ClF2O3
Molecular Weight276.67 g/mol
Exact Mass276.04
IUPAC Namemethyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1c2c(cc(Cl)c1OC(F)F)CCC2
InChIInChI=1S/C12H11ClF2O3/c1-17-11(16)9-7-4-2-3-6(7)5-8(13)10(9)18-12(14)15/h5,12H,2-4H2,1H3
InChIKeyVVVJJMYSCRCVJL-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate 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 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate (CID 171787737) is methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate is COC(=O)c1c2c(cc(Cl)c1OC(F)F)CCC2.
What is the InChIKey of methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is VVVJJMYSCRCVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2O3/c1-17-11(16)9-7-4-2-3-6(7)5-8(13)10(9)18-12(14)15/h5,12H,2-4H2,1H3.
What are the key properties of methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate?
methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 276.67 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 171787737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).