4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene

C16H13F3 — CID 126702250

IUPAC4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene
SMILESCc1cc(F)c(-c2ccc(F)c3c2CCC3)c(F)c1
InChIInChI=1S/C16H13F3/c1-9-7-14(18)16(15(19)8-9)12-5-6-13(17)11-4-2-3-10(11)12/h5-8H,2-4H2,1H3
InChIKeyIDGIJAIPBBPFLP-UHFFFAOYSA-N
MW262.27 g/mol
LogP4.57
Rot. Bonds1

About 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene

4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene (PubChem CID 126702250) has the molecular formula C16H13F3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene
PubChem CID126702250
Molecular FormulaC16H13F3
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene
SMILESCc1cc(F)c(-c2ccc(F)c3c2CCC3)c(F)c1
InChIInChI=1S/C16H13F3/c1-9-7-14(18)16(15(19)8-9)12-5-6-13(17)11-4-2-3-10(11)12/h5-8H,2-4H2,1H3
InChIKeyIDGIJAIPBBPFLP-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene 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 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene (CID 126702250) is 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene is Cc1cc(F)c(-c2ccc(F)c3c2CCC3)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene?
The InChIKey is IDGIJAIPBBPFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3/c1-9-7-14(18)16(15(19)8-9)12-5-6-13(17)11-4-2-3-10(11)12/h5-8H,2-4H2,1H3.
What are the key properties of 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene?
4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene has a molecular weight of 262.27 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 126702250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).