3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene

C12H14F2 — CID 121463171

IUPAC3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene
SMILESCc1ccc2c(c1F)C(C)(F)C(C)C2
InChIInChI=1S/C12H14F2/c1-7-4-5-9-6-8(2)12(3,14)10(9)11(7)13/h4-5,8H,6H2,1-3H3
InChIKeyWXWVWUHJLYQESF-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.51
Rot. Bonds

About 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene

3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene (PubChem CID 121463171) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene
PubChem CID121463171
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene
SMILESCc1ccc2c(c1F)C(C)(F)C(C)C2
InChIInChI=1S/C12H14F2/c1-7-4-5-9-6-8(2)12(3,14)10(9)11(7)13/h4-5,8H,6H2,1-3H3
InChIKeyWXWVWUHJLYQESF-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene?
The IUPAC name of 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene (CID 121463171) is 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene.
What is the SMILES notation for 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene?
The canonical SMILES for 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene is Cc1ccc2c(c1F)C(C)(F)C(C)C2.
What is the InChIKey of 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene?
The InChIKey is WXWVWUHJLYQESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-7-4-5-9-6-8(2)12(3,14)10(9)11(7)13/h4-5,8H,6H2,1-3H3.
What are the key properties of 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene?
3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene has a molecular weight of 196.24 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2,3,5-trimethyl-1,2-dihydroindene is sourced from PubChem (CID 121463171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).