CIOMXUBNOXKHAF-UHFFFAOYSA-N

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

C₂₃H₁₈F₅N₃O₃ — CID 118685981

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

IUPAC11-[[3,5-difluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]methoxy]-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one

SMILESO=c1nc(OCc2cc(F)c(Oc3cccc(C(F)(F)F)c3)c(F)c2)cc2n1CC1CCCN21

InChIInChI=1S/C23H18F5N3O3/c24-17-7-13(8-18(25)21(17)34-16-5-1-3-14(9-16)23(26,27)28)12-33-19-10-20-30-6-2-4-15(30)11-31(20)22(32)29-19/h1,3,5,7-10,15H,2,4,6,11-12H2

InChIKeyCIOMXUBNOXKHAF-UHFFFAOYSA-N

MW479.41 g/mol

LogP4.89

Rot. Bonds5

About CIOMXUBNOXKHAF-UHFFFAOYSA-N

CIOMXUBNOXKHAF-UHFFFAOYSA-N (PubChem CID 118685981) has the molecular formula C₂₃H₁₈F₅N₃O₃ and a molecular weight of 479.41 g/mol. Its IUPAC name is 11-[[3,5-difluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]methoxy]-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one.

Molecular Properties

Compound Name	CIOMXUBNOXKHAF-UHFFFAOYSA-N
PubChem CID	118685981
Molecular Formula	C₂₃H₁₈F₅N₃O₃
Molecular Weight	479.41 g/mol
Exact Mass	479.13
IUPAC Name	11-[[3,5-difluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]methoxy]-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
SMILES	O=c1nc(OCc2cc(F)c(Oc3cccc(C(F)(F)F)c3)c(F)c2)cc2n1CC1CCCN21
InChI	InChI=1S/C23H18F5N3O3/c24-17-7-13(8-18(25)21(17)34-16-5-1-3-14(9-16)23(26,27)28)12-33-19-10-20-30-6-2-4-15(30)11-31(20)22(32)29-19/h1,3,5,7-10,15H,2,4,6,11-12H2
InChIKey	CIOMXUBNOXKHAF-UHFFFAOYSA-N
XLogP	4.89
TPSA	56.59 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.41
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of CIOMXUBNOXKHAF-UHFFFAOYSA-N (CID 118685981) is 11-[[3,5-difluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]methoxy]-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one.

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

The canonical SMILES for CIOMXUBNOXKHAF-UHFFFAOYSA-N is O=c1nc(OCc2cc(F)c(Oc3cccc(C(F)(F)F)c3)c(F)c2)cc2n1CC1CCCN21.

What is the InChIKey of CIOMXUBNOXKHAF-UHFFFAOYSA-N?

The InChIKey is CIOMXUBNOXKHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N3O3/c24-17-7-13(8-18(25)21(17)34-16-5-1-3-14(9-16)23(26,27)28)12-33-19-10-20-30-6-2-4-15(30)11-31(20)22(32)29-19/h1,3,5,7-10,15H,2,4,6,11-12H2.

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

CIOMXUBNOXKHAF-UHFFFAOYSA-N has a molecular weight of 479.41 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CIOMXUBNOXKHAF-UHFFFAOYSA-N is sourced from PubChem (CID 118685981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118685981 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.