PZEOTOMZRDNWHA-IFMALSPDSA-N

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

C₂₅H₂₃F₈NO₃S — CID 122678948

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

IUPAC1-[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-2-methylpropan-1-one

SMILESCC(C)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12

InChIInChI=1S/C25H23F8NO3S/c1-14(2)21(35)34-12-11-22(38(36,37)18-7-5-17(26)6-8-18)19-9-4-16(13-15(19)3-10-20(22)34)23(27,24(28,29)30)25(31,32)33/h4-9,13-14,20H,3,10-12H2,1-2H3/t20-,22-/m1/s1

InChIKeyPZEOTOMZRDNWHA-IFMALSPDSA-N

MW569.51 g/mol

LogP5.99

Rot. Bonds4

About PZEOTOMZRDNWHA-IFMALSPDSA-N

PZEOTOMZRDNWHA-IFMALSPDSA-N (PubChem CID 122678948) has the molecular formula C₂₅H₂₃F₈NO₃S and a molecular weight of 569.51 g/mol. Its IUPAC name is 1-[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name	PZEOTOMZRDNWHA-IFMALSPDSA-N
PubChem CID	122678948
Molecular Formula	C₂₅H₂₃F₈NO₃S
Molecular Weight	569.51 g/mol
Exact Mass	569.13
IUPAC Name	1-[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-2-methylpropan-1-one
SMILES	CC(C)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12
InChI	InChI=1S/C25H23F8NO3S/c1-14(2)21(35)34-12-11-22(38(36,37)18-7-5-17(26)6-8-18)19-9-4-16(13-15(19)3-10-20(22)34)23(27,24(28,29)30)25(31,32)33/h4-9,13-14,20H,3,10-12H2,1-2H3/t20-,22-/m1/s1
InChIKey	PZEOTOMZRDNWHA-IFMALSPDSA-N
XLogP	5.99
TPSA	54.45 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.51
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of PZEOTOMZRDNWHA-IFMALSPDSA-N?

The IUPAC name of PZEOTOMZRDNWHA-IFMALSPDSA-N (CID 122678948) is 1-[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-2-methylpropan-1-one.

What is the SMILES notation for PZEOTOMZRDNWHA-IFMALSPDSA-N?

The canonical SMILES for PZEOTOMZRDNWHA-IFMALSPDSA-N is CC(C)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12.

What is the InChIKey of PZEOTOMZRDNWHA-IFMALSPDSA-N?

The InChIKey is PZEOTOMZRDNWHA-IFMALSPDSA-N. The full InChI is InChI=1S/C25H23F8NO3S/c1-14(2)21(35)34-12-11-22(38(36,37)18-7-5-17(26)6-8-18)19-9-4-16(13-15(19)3-10-20(22)34)23(27,24(28,29)30)25(31,32)33/h4-9,13-14,20H,3,10-12H2,1-2H3/t20-,22-/m1/s1.

What are the key properties of PZEOTOMZRDNWHA-IFMALSPDSA-N?

PZEOTOMZRDNWHA-IFMALSPDSA-N has a molecular weight of 569.51 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for PZEOTOMZRDNWHA-IFMALSPDSA-N is sourced from PubChem (CID 122678948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122678948 — identifiers, structure, computed properties (public domain)

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