6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene

C13H17F — CID 144966147

IUPAC6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene
SMILESCCc1ccc2c(c1F)CCC2(C)C
InChIInChI=1S/C13H17F/c1-4-9-5-6-11-10(12(9)14)7-8-13(11,2)3/h5-6H,4,7-8H2,1-3H3
InChIKeyXKIHUJXBQRJVRC-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.61
Rot. Bonds1

About 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene

6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene (PubChem CID 144966147) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene
PubChem CID144966147
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene
SMILESCCc1ccc2c(c1F)CCC2(C)C
InChIInChI=1S/C13H17F/c1-4-9-5-6-11-10(12(9)14)7-8-13(11,2)3/h5-6H,4,7-8H2,1-3H3
InChIKeyXKIHUJXBQRJVRC-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene 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 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene (CID 144966147) is 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene is CCc1ccc2c(c1F)CCC2(C)C.
What is the InChIKey of 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is XKIHUJXBQRJVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-4-9-5-6-11-10(12(9)14)7-8-13(11,2)3/h5-6H,4,7-8H2,1-3H3.
What are the key properties of 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene?
6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 192.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 144966147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).