4,7-difluoro-1-methyl-1H-indene

C10H8F2 — CID 23001105

IUPAC4,7-difluoro-1-methyl-1H-indene
SMILESCC1C=Cc2c(F)ccc(F)c21
InChIInChI=1S/C10H8F2/c1-6-2-3-7-8(11)4-5-9(12)10(6)7/h2-6H,1H3
InChIKeyOTWYMWZQZPRZHT-UHFFFAOYSA-N
MW166.17 g/mol
LogP3.10
Rot. Bonds

About 4,7-difluoro-1-methyl-1H-indene

4,7-difluoro-1-methyl-1H-indene (PubChem CID 23001105) has the molecular formula C10H8F2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 4,7-difluoro-1-methyl-1H-indene.

Molecular Properties

Compound Name4,7-difluoro-1-methyl-1H-indene
PubChem CID23001105
Molecular FormulaC10H8F2
Molecular Weight166.17 g/mol
Exact Mass166.06
IUPAC Name4,7-difluoro-1-methyl-1H-indene
SMILESCC1C=Cc2c(F)ccc(F)c21
InChIInChI=1S/C10H8F2/c1-6-2-3-7-8(11)4-5-9(12)10(6)7/h2-6H,1H3
InChIKeyOTWYMWZQZPRZHT-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-1-methyl-1H-indene?
The IUPAC name of 4,7-difluoro-1-methyl-1H-indene (CID 23001105) is 4,7-difluoro-1-methyl-1H-indene.
What is the SMILES notation for 4,7-difluoro-1-methyl-1H-indene?
The canonical SMILES for 4,7-difluoro-1-methyl-1H-indene is CC1C=Cc2c(F)ccc(F)c21.
What is the InChIKey of 4,7-difluoro-1-methyl-1H-indene?
The InChIKey is OTWYMWZQZPRZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2/c1-6-2-3-7-8(11)4-5-9(12)10(6)7/h2-6H,1H3.
What are the key properties of 4,7-difluoro-1-methyl-1H-indene?
4,7-difluoro-1-methyl-1H-indene has a molecular weight of 166.17 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-1-methyl-1H-indene is sourced from PubChem (CID 23001105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).