4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene

C11H12F2 — CID 147475472

IUPAC4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene
SMILESCc1cc(F)c(F)c2c1CC(C)C2
InChIInChI=1S/C11H12F2/c1-6-3-8-7(2)5-10(12)11(13)9(8)4-6/h5-6H,3-4H2,1-2H3
InChIKeyFCPJUWRNTGZWJN-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.01
Rot. Bonds

About 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene

4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene (PubChem CID 147475472) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene
PubChem CID147475472
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene
SMILESCc1cc(F)c(F)c2c1CC(C)C2
InChIInChI=1S/C11H12F2/c1-6-3-8-7(2)5-10(12)11(13)9(8)4-6/h5-6H,3-4H2,1-2H3
InChIKeyFCPJUWRNTGZWJN-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene (CID 147475472) is 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene is Cc1cc(F)c(F)c2c1CC(C)C2.
What is the InChIKey of 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene?
The InChIKey is FCPJUWRNTGZWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-6-3-8-7(2)5-10(12)11(13)9(8)4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene?
4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene has a molecular weight of 182.21 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,7-dimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 147475472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).