1,1-difluoro-3,3,4-trimethyl-2H-indene

C12H14F2 — CID 170185955

IUPAC1,1-difluoro-3,3,4-trimethyl-2H-indene
SMILESCc1cccc2c1C(C)(C)CC2(F)F
InChIInChI=1S/C12H14F2/c1-8-5-4-6-9-10(8)11(2,3)7-12(9,13)14/h4-6H,7H2,1-3H3
InChIKeyXQLXOVDTDKDCJL-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.77
Rot. Bonds

About 1,1-difluoro-3,3,4-trimethyl-2H-indene

1,1-difluoro-3,3,4-trimethyl-2H-indene (PubChem CID 170185955) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 1,1-difluoro-3,3,4-trimethyl-2H-indene.

Molecular Properties

Compound Name1,1-difluoro-3,3,4-trimethyl-2H-indene
PubChem CID170185955
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name1,1-difluoro-3,3,4-trimethyl-2H-indene
SMILESCc1cccc2c1C(C)(C)CC2(F)F
InChIInChI=1S/C12H14F2/c1-8-5-4-6-9-10(8)11(2,3)7-12(9,13)14/h4-6H,7H2,1-3H3
InChIKeyXQLXOVDTDKDCJL-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3,3,4-trimethyl-2H-indene?
The IUPAC name of 1,1-difluoro-3,3,4-trimethyl-2H-indene (CID 170185955) is 1,1-difluoro-3,3,4-trimethyl-2H-indene.
What is the SMILES notation for 1,1-difluoro-3,3,4-trimethyl-2H-indene?
The canonical SMILES for 1,1-difluoro-3,3,4-trimethyl-2H-indene is Cc1cccc2c1C(C)(C)CC2(F)F.
What is the InChIKey of 1,1-difluoro-3,3,4-trimethyl-2H-indene?
The InChIKey is XQLXOVDTDKDCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-8-5-4-6-9-10(8)11(2,3)7-12(9,13)14/h4-6H,7H2,1-3H3.
What are the key properties of 1,1-difluoro-3,3,4-trimethyl-2H-indene?
1,1-difluoro-3,3,4-trimethyl-2H-indene has a molecular weight of 196.24 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3,3,4-trimethyl-2H-indene is sourced from PubChem (CID 170185955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).