2,3,4-trifluoro-1H-indene

C9H5F3 — CID 173206263

IUPAC2,3,4-trifluoro-1H-indene
SMILESFC1=C(F)c2c(F)cccc2C1
InChIInChI=1S/C9H5F3/c10-6-3-1-2-5-4-7(11)9(12)8(5)6/h1-3H,4H2
InChIKeyDFDVCWZRXZAJNX-UHFFFAOYSA-N
MW170.13 g/mol
LogP2.99
Rot. Bonds

About 2,3,4-trifluoro-1H-indene

2,3,4-trifluoro-1H-indene (PubChem CID 173206263) has the molecular formula C9H5F3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2,3,4-trifluoro-1H-indene.

Molecular Properties

Compound Name2,3,4-trifluoro-1H-indene
PubChem CID173206263
Molecular FormulaC9H5F3
Molecular Weight170.13 g/mol
Exact Mass170.03
IUPAC Name2,3,4-trifluoro-1H-indene
SMILESFC1=C(F)c2c(F)cccc2C1
InChIInChI=1S/C9H5F3/c10-6-3-1-2-5-4-7(11)9(12)8(5)6/h1-3H,4H2
InChIKeyDFDVCWZRXZAJNX-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-1H-indene?
The IUPAC name of 2,3,4-trifluoro-1H-indene (CID 173206263) is 2,3,4-trifluoro-1H-indene.
What is the SMILES notation for 2,3,4-trifluoro-1H-indene?
The canonical SMILES for 2,3,4-trifluoro-1H-indene is FC1=C(F)c2c(F)cccc2C1.
What is the InChIKey of 2,3,4-trifluoro-1H-indene?
The InChIKey is DFDVCWZRXZAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3/c10-6-3-1-2-5-4-7(11)9(12)8(5)6/h1-3H,4H2.
What are the key properties of 2,3,4-trifluoro-1H-indene?
2,3,4-trifluoro-1H-indene has a molecular weight of 170.13 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-1H-indene is sourced from PubChem (CID 173206263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).