BANKSZZTXXTYRE-UHFFFAOYSA-N

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

C₂₀H₁₇F₇O₃S — CID 118212096

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

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol

SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCCC1

InChIInChI=1S/C20H17F7O3S/c21-15-7-9-16(10-8-15)31(29,30)17(11-1-2-12-17)13-3-5-14(6-4-13)18(28,19(22,23)24)20(25,26)27/h3-10,28H,1-2,11-12H2

InChIKeyBANKSZZTXXTYRE-UHFFFAOYSA-N

MW470.41 g/mol

LogP5.38

Rot. Bonds4

About BANKSZZTXXTYRE-UHFFFAOYSA-N

BANKSZZTXXTYRE-UHFFFAOYSA-N (PubChem CID 118212096) has the molecular formula C₂₀H₁₇F₇O₃S and a molecular weight of 470.41 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name	BANKSZZTXXTYRE-UHFFFAOYSA-N
PubChem CID	118212096
Molecular Formula	C₂₀H₁₇F₇O₃S
Molecular Weight	470.41 g/mol
Exact Mass	470.08
IUPAC Name	1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
SMILES	O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCCC1
InChI	InChI=1S/C20H17F7O3S/c21-15-7-9-16(10-8-15)31(29,30)17(11-1-2-12-17)13-3-5-14(6-4-13)18(28,19(22,23)24)20(25,26)27/h3-10,28H,1-2,11-12H2
InChIKey	BANKSZZTXXTYRE-UHFFFAOYSA-N
XLogP	5.38
TPSA	54.37 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.41
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of BANKSZZTXXTYRE-UHFFFAOYSA-N (CID 118212096) is 1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol.

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

The canonical SMILES for BANKSZZTXXTYRE-UHFFFAOYSA-N is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCCC1.

What is the InChIKey of BANKSZZTXXTYRE-UHFFFAOYSA-N?

The InChIKey is BANKSZZTXXTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F7O3S/c21-15-7-9-16(10-8-15)31(29,30)17(11-1-2-12-17)13-3-5-14(6-4-13)18(28,19(22,23)24)20(25,26)27/h3-10,28H,1-2,11-12H2.

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

BANKSZZTXXTYRE-UHFFFAOYSA-N has a molecular weight of 470.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for BANKSZZTXXTYRE-UHFFFAOYSA-N is sourced from PubChem (CID 118212096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118212096 — identifiers, structure, computed properties (public domain)

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