2-ethyl-4-(3-fluorophenyl)-1H-indene

C17H15F — CID 173192641

IUPAC2-ethyl-4-(3-fluorophenyl)-1H-indene
SMILESCCC1=Cc2c(cccc2-c2cccc(F)c2)C1
InChIInChI=1S/C17H15F/c1-2-12-9-13-6-4-8-16(17(13)10-12)14-5-3-7-15(18)11-14/h3-8,10-11H,2,9H2,1H3
InChIKeyBJRDWSPHFDUFGI-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.84
Rot. Bonds2

About 2-ethyl-4-(3-fluorophenyl)-1H-indene

2-ethyl-4-(3-fluorophenyl)-1H-indene (PubChem CID 173192641) has the molecular formula C17H15F and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-ethyl-4-(3-fluorophenyl)-1H-indene.

Molecular Properties

Compound Name2-ethyl-4-(3-fluorophenyl)-1H-indene
PubChem CID173192641
Molecular FormulaC17H15F
Molecular Weight238.31 g/mol
Exact Mass238.12
IUPAC Name2-ethyl-4-(3-fluorophenyl)-1H-indene
SMILESCCC1=Cc2c(cccc2-c2cccc(F)c2)C1
InChIInChI=1S/C17H15F/c1-2-12-9-13-6-4-8-16(17(13)10-12)14-5-3-7-15(18)11-14/h3-8,10-11H,2,9H2,1H3
InChIKeyBJRDWSPHFDUFGI-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-fluorophenyl)-1H-indene?
The IUPAC name of 2-ethyl-4-(3-fluorophenyl)-1H-indene (CID 173192641) is 2-ethyl-4-(3-fluorophenyl)-1H-indene.
What is the SMILES notation for 2-ethyl-4-(3-fluorophenyl)-1H-indene?
The canonical SMILES for 2-ethyl-4-(3-fluorophenyl)-1H-indene is CCC1=Cc2c(cccc2-c2cccc(F)c2)C1.
What is the InChIKey of 2-ethyl-4-(3-fluorophenyl)-1H-indene?
The InChIKey is BJRDWSPHFDUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F/c1-2-12-9-13-6-4-8-16(17(13)10-12)14-5-3-7-15(18)11-14/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 2-ethyl-4-(3-fluorophenyl)-1H-indene?
2-ethyl-4-(3-fluorophenyl)-1H-indene has a molecular weight of 238.31 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-fluorophenyl)-1H-indene is sourced from PubChem (CID 173192641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).