RLAANQXKEKOCFM-UHFFFAOYSA-N

Name: RLAANQXKEKOCFM-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₁₃F₅N₆O₂ — CID 151733319

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]-2-fluorobenzonitrile

SMILESN#Cc1cccc(Oc2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)c1F

InChIInChI=1S/C22H13F5N6O2/c23-14-4-6-16(17(24)8-14)21(34,11-33-12-30-31-32-33)22(26,27)19-7-5-15(10-29-19)35-18-3-1-2-13(9-28)20(18)25/h1-8,10,12,34H,11H2

InChIKeyRLAANQXKEKOCFM-UHFFFAOYSA-N

MW488.38 g/mol

LogP3.83

Rot. Bonds7

About RLAANQXKEKOCFM-UHFFFAOYSA-N

RLAANQXKEKOCFM-UHFFFAOYSA-N (PubChem CID 151733319) has the molecular formula C₂₂H₁₃F₅N₆O₂ and a molecular weight of 488.38 g/mol. Its IUPAC name is 3-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name	RLAANQXKEKOCFM-UHFFFAOYSA-N
PubChem CID	151733319
Molecular Formula	C₂₂H₁₃F₅N₆O₂
Molecular Weight	488.38 g/mol
Exact Mass	488.10
IUPAC Name	3-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]-2-fluorobenzonitrile
SMILES	N#Cc1cccc(Oc2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)c1F
InChI	InChI=1S/C22H13F5N6O2/c23-14-4-6-16(17(24)8-14)21(34,11-33-12-30-31-32-33)22(26,27)19-7-5-15(10-29-19)35-18-3-1-2-13(9-28)20(18)25/h1-8,10,12,34H,11H2
InChIKey	RLAANQXKEKOCFM-UHFFFAOYSA-N
XLogP	3.83
TPSA	109.74 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.38
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of RLAANQXKEKOCFM-UHFFFAOYSA-N?

The IUPAC name of RLAANQXKEKOCFM-UHFFFAOYSA-N (CID 151733319) is 3-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]-2-fluorobenzonitrile.

What is the SMILES notation for RLAANQXKEKOCFM-UHFFFAOYSA-N?

The canonical SMILES for RLAANQXKEKOCFM-UHFFFAOYSA-N is N#Cc1cccc(Oc2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)c1F.

What is the InChIKey of RLAANQXKEKOCFM-UHFFFAOYSA-N?

The InChIKey is RLAANQXKEKOCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N6O2/c23-14-4-6-16(17(24)8-14)21(34,11-33-12-30-31-32-33)22(26,27)19-7-5-15(10-29-19)35-18-3-1-2-13(9-28)20(18)25/h1-8,10,12,34H,11H2.

What are the key properties of RLAANQXKEKOCFM-UHFFFAOYSA-N?

RLAANQXKEKOCFM-UHFFFAOYSA-N has a molecular weight of 488.38 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for RLAANQXKEKOCFM-UHFFFAOYSA-N is sourced from PubChem (CID 151733319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151733319 — identifiers, structure, computed properties (public domain)

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