1-(2,3,4-trifluorophenyl)-1H-indene

C15H9F3 — CID 21095845

IUPAC1-(2,3,4-trifluorophenyl)-1H-indene
SMILESFc1ccc(C2C=Cc3ccccc32)c(F)c1F
InChIInChI=1S/C15H9F3/c16-13-8-7-12(14(17)15(13)18)11-6-5-9-3-1-2-4-10(9)11/h1-8,11H
InChIKeyOHRQTMXFVUBRTC-UHFFFAOYSA-N
MW246.23 g/mol
LogP4.26
Rot. Bonds1

About 1-(2,3,4-trifluorophenyl)-1H-indene

1-(2,3,4-trifluorophenyl)-1H-indene (PubChem CID 21095845) has the molecular formula C15H9F3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenyl)-1H-indene.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenyl)-1H-indene
PubChem CID21095845
Molecular FormulaC15H9F3
Molecular Weight246.23 g/mol
Exact Mass246.07
IUPAC Name1-(2,3,4-trifluorophenyl)-1H-indene
SMILESFc1ccc(C2C=Cc3ccccc32)c(F)c1F
InChIInChI=1S/C15H9F3/c16-13-8-7-12(14(17)15(13)18)11-6-5-9-3-1-2-4-10(9)11/h1-8,11H
InChIKeyOHRQTMXFVUBRTC-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
(1S)-1-phenyl-1H-indene
CID 86309914
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
1-(3-ethylphenyl)-1H-indene
CID 87675189
diiodotitanium;1-phenyl-1H-indene
CID 174711312
1-(2-methoxyphenyl)-1H-indene
CID 15345370
CID 173308465
CID 173308465
1-(3,5-ditert-butylphenyl)-1H-indene
CID 22613659
1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride
CID 25200218
bis(1-cyclopenta-1,3-dien-1-yl-1H-indene);zirconium(2+)
CID 161036127
1-chloro-1H-indene;titanium;dihydrochloride
CID 174637282

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenyl)-1H-indene?
The IUPAC name of 1-(2,3,4-trifluorophenyl)-1H-indene (CID 21095845) is 1-(2,3,4-trifluorophenyl)-1H-indene.
What is the SMILES notation for 1-(2,3,4-trifluorophenyl)-1H-indene?
The canonical SMILES for 1-(2,3,4-trifluorophenyl)-1H-indene is Fc1ccc(C2C=Cc3ccccc32)c(F)c1F.
What is the InChIKey of 1-(2,3,4-trifluorophenyl)-1H-indene?
The InChIKey is OHRQTMXFVUBRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3/c16-13-8-7-12(14(17)15(13)18)11-6-5-9-3-1-2-4-10(9)11/h1-8,11H.
What are the key properties of 1-(2,3,4-trifluorophenyl)-1H-indene?
1-(2,3,4-trifluorophenyl)-1H-indene has a molecular weight of 246.23 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenyl)-1H-indene is sourced from PubChem (CID 21095845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).