QSOLOMSNGXKIBK-UHFFFAOYSA-N

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

C₁₂H₇F₁₉O₄ — CID 151641249

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

IUPAC4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol

SMILESOCCCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F

InChIInChI=1S/C12H7F19O4/c13-4(2-1-3-32,7(16,17)18)33-10(25,26)5(14,8(19,20)21)34-11(27,28)6(15,9(22,23)24)35-12(29,30)31/h32H,1-3H2

InChIKeyQSOLOMSNGXKIBK-UHFFFAOYSA-N

MW576.15 g/mol

LogP6.20

Rot. Bonds10

About QSOLOMSNGXKIBK-UHFFFAOYSA-N

QSOLOMSNGXKIBK-UHFFFAOYSA-N (PubChem CID 151641249) has the molecular formula C₁₂H₇F₁₉O₄ and a molecular weight of 576.15 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol.

Molecular Properties

Compound Name	QSOLOMSNGXKIBK-UHFFFAOYSA-N
PubChem CID	151641249
Molecular Formula	C₁₂H₇F₁₉O₄
Molecular Weight	576.15 g/mol
Exact Mass	576.00
IUPAC Name	4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol
SMILES	OCCCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C12H7F19O4/c13-4(2-1-3-32,7(16,17)18)33-10(25,26)5(14,8(19,20)21)34-11(27,28)6(15,9(22,23)24)35-12(29,30)31/h32H,1-3H2
InChIKey	QSOLOMSNGXKIBK-UHFFFAOYSA-N
XLogP	6.20
TPSA	47.92 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	10
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.15
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of QSOLOMSNGXKIBK-UHFFFAOYSA-N (CID 151641249) is 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol.

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

The canonical SMILES for QSOLOMSNGXKIBK-UHFFFAOYSA-N is OCCCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of QSOLOMSNGXKIBK-UHFFFAOYSA-N?

The InChIKey is QSOLOMSNGXKIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F19O4/c13-4(2-1-3-32,7(16,17)18)33-10(25,26)5(14,8(19,20)21)34-11(27,28)6(15,9(22,23)24)35-12(29,30)31/h32H,1-3H2.

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

QSOLOMSNGXKIBK-UHFFFAOYSA-N has a molecular weight of 576.15 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for QSOLOMSNGXKIBK-UHFFFAOYSA-N is sourced from PubChem (CID 151641249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151641249 — identifiers, structure, computed properties (public domain)

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