RHLWTWUMSPIQMC-UHFFFAOYSA-N

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

C₁₉H₈F₆O₉ — CID 15180804

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

IUPAC9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid

SMILESO=C(O)c1cc2c(cc1C(=O)O)C(C(F)(F)F)(C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1O2

InChIInChI=1S/C19H8F6O9/c20-18(21,22)17(19(23,24)25)9-1-5(13(26)27)7(15(30)31)3-11(9)34-12-4-8(16(32)33)6(14(28)29)2-10(12)17/h1-4H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)

InChIKeyRHLWTWUMSPIQMC-UHFFFAOYSA-N

MW494.25 g/mol

LogP4.00

Rot. Bonds4

About RHLWTWUMSPIQMC-UHFFFAOYSA-N

RHLWTWUMSPIQMC-UHFFFAOYSA-N (PubChem CID 15180804) has the molecular formula C₁₉H₈F₆O₉ and a molecular weight of 494.25 g/mol. Its IUPAC name is 9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid.

Molecular Properties

Compound Name	RHLWTWUMSPIQMC-UHFFFAOYSA-N
PubChem CID	15180804
Molecular Formula	C₁₉H₈F₆O₉
Molecular Weight	494.25 g/mol
Exact Mass	494.01
IUPAC Name	9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid
SMILES	O=C(O)c1cc2c(cc1C(=O)O)C(C(F)(F)F)(C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1O2
InChI	InChI=1S/C19H8F6O9/c20-18(21,22)17(19(23,24)25)9-1-5(13(26)27)7(15(30)31)3-11(9)34-12-4-8(16(32)33)6(14(28)29)2-10(12)17/h1-4H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKey	RHLWTWUMSPIQMC-UHFFFAOYSA-N
XLogP	4.00
TPSA	158.43 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.25
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of RHLWTWUMSPIQMC-UHFFFAOYSA-N (CID 15180804) is 9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid.

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

The canonical SMILES for RHLWTWUMSPIQMC-UHFFFAOYSA-N is O=C(O)c1cc2c(cc1C(=O)O)C(C(F)(F)F)(C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1O2.

What is the InChIKey of RHLWTWUMSPIQMC-UHFFFAOYSA-N?

The InChIKey is RHLWTWUMSPIQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8F6O9/c20-18(21,22)17(19(23,24)25)9-1-5(13(26)27)7(15(30)31)3-11(9)34-12-4-8(16(32)33)6(14(28)29)2-10(12)17/h1-4H,(H,26,27)(H,28,29)(H,30,31)(H,32,33).

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

RHLWTWUMSPIQMC-UHFFFAOYSA-N has a molecular weight of 494.25 g/mol, XLogP of 4.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for RHLWTWUMSPIQMC-UHFFFAOYSA-N is sourced from PubChem (CID 15180804), 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 15180804 — identifiers, structure, computed properties (public domain)

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