7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene

C16H24F2O — CID 176926471

IUPAC7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene
SMILESCCC1(C(C)C)CCC2=C1CC(C)C=C2OC(F)F
InChIInChI=1S/C16H24F2O/c1-5-16(10(2)3)7-6-12-13(16)8-11(4)9-14(12)19-15(17)18/h9-11,15H,5-8H2,1-4H3
InChIKeyWLQJJSDGHSWYEJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP5.29
Rot. Bonds4

About 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene

7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene (PubChem CID 176926471) has the molecular formula C16H24F2O and a molecular weight of 270.36 g/mol. Its IUPAC name is 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene.

Molecular Properties

Compound Name7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene
PubChem CID176926471
Molecular FormulaC16H24F2O
Molecular Weight270.36 g/mol
Exact Mass270.18
IUPAC Name7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene
SMILESCCC1(C(C)C)CCC2=C1CC(C)C=C2OC(F)F
InChIInChI=1S/C16H24F2O/c1-5-16(10(2)3)7-6-12-13(16)8-11(4)9-14(12)19-15(17)18/h9-11,15H,5-8H2,1-4H3
InChIKeyWLQJJSDGHSWYEJ-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene 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 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene?
The IUPAC name of 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene (CID 176926471) is 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene.
What is the SMILES notation for 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene?
The canonical SMILES for 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene is CCC1(C(C)C)CCC2=C1CC(C)C=C2OC(F)F.
What is the InChIKey of 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene?
The InChIKey is WLQJJSDGHSWYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O/c1-5-16(10(2)3)7-6-12-13(16)8-11(4)9-14(12)19-15(17)18/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene?
7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene has a molecular weight of 270.36 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 7-(difluoromethoxy)-3-ethyl-5-methyl-3-propan-2-yl-1,2,4,5-tetrahydroindene is sourced from PubChem (CID 176926471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).