3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene

C19H18F4O — CID 58660445

IUPAC3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene
SMILESCCCc1cc(F)c(-c2ccc3c(c2)COC(C(F)F)C3)c(F)c1
InChIInChI=1S/C19H18F4O/c1-2-3-11-6-15(20)18(16(21)7-11)13-5-4-12-9-17(19(22)23)24-10-14(12)8-13/h4-8,17,19H,2-3,9-10H2,1H3
InChIKeyLYBVOCYHNDQFGV-UHFFFAOYSA-N
MW338.34 g/mol
LogP5.29
Rot. Bonds4

About 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene

3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene (PubChem CID 58660445) has the molecular formula C19H18F4O and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene
PubChem CID58660445
Molecular FormulaC19H18F4O
Molecular Weight338.34 g/mol
Exact Mass338.13
IUPAC Name3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene
SMILESCCCc1cc(F)c(-c2ccc3c(c2)COC(C(F)F)C3)c(F)c1
InChIInChI=1S/C19H18F4O/c1-2-3-11-6-15(20)18(16(21)7-11)13-5-4-12-9-17(19(22)23)24-10-14(12)8-13/h4-8,17,19H,2-3,9-10H2,1H3
InChIKeyLYBVOCYHNDQFGV-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene 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 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene?
The IUPAC name of 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene (CID 58660445) is 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene?
The canonical SMILES for 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene is CCCc1cc(F)c(-c2ccc3c(c2)COC(C(F)F)C3)c(F)c1.
What is the InChIKey of 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene?
The InChIKey is LYBVOCYHNDQFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4O/c1-2-3-11-6-15(20)18(16(21)7-11)13-5-4-12-9-17(19(22)23)24-10-14(12)8-13/h4-8,17,19H,2-3,9-10H2,1H3.
What are the key properties of 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene?
3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene has a molecular weight of 338.34 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 58660445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).