4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde

C13H13FN4O2 — CID 156862240

IUPAC4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde
SMILESO=CC1Cc2cc(OCCn3ncnn3)cc(F)c2C1
InChIInChI=1S/C13H13FN4O2/c14-13-6-11(20-2-1-18-16-8-15-17-18)5-10-3-9(7-19)4-12(10)13/h5-9H,1-4H2
InChIKeyGOWMZODXIBQDJU-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.80
Rot. Bonds5

About 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde

4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde (PubChem CID 156862240) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde
PubChem CID156862240
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde
SMILESO=CC1Cc2cc(OCCn3ncnn3)cc(F)c2C1
InChIInChI=1S/C13H13FN4O2/c14-13-6-11(20-2-1-18-16-8-15-17-18)5-10-3-9(7-19)4-12(10)13/h5-9H,1-4H2
InChIKeyGOWMZODXIBQDJU-UHFFFAOYSA-N
XLogP0.80
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde?
The IUPAC name of 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde (CID 156862240) is 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde.
What is the SMILES notation for 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde?
The canonical SMILES for 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde is O=CC1Cc2cc(OCCn3ncnn3)cc(F)c2C1.
What is the InChIKey of 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde?
The InChIKey is GOWMZODXIBQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c14-13-6-11(20-2-1-18-16-8-15-17-18)5-10-3-9(7-19)4-12(10)13/h5-9H,1-4H2.
What are the key properties of 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde?
4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde has a molecular weight of 276.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[2-(tetrazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-2-carbaldehyde is sourced from PubChem (CID 156862240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).