2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol

Name: 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₉F₇O — CID 162511741

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

IUPAC2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol

SMILESOC(c1cccc(F)c1)(c1ccccc1F)C(F)(F)C(F)(F)F

InChIInChI=1S/C15H9F7O/c16-10-5-3-4-9(8-10)13(23,14(18,19)15(20,21)22)11-6-1-2-7-12(11)17/h1-8,23H

InChIKeySSLABCWOOKUBCS-UHFFFAOYSA-N

MW338.22 g/mol

LogP4.40

Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol

2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 162511741) has the molecular formula C₁₅H₉F₇O and a molecular weight of 338.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name	2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID	162511741
Molecular Formula	C₁₅H₉F₇O
Molecular Weight	338.22 g/mol
Exact Mass	338.05
IUPAC Name	2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
SMILES	OC(c1cccc(F)c1)(c1ccccc1F)C(F)(F)C(F)(F)F
InChI	InChI=1S/C15H9F7O/c16-10-5-3-4-9(8-10)13(23,14(18,19)15(20,21)22)11-6-1-2-7-12(11)17/h1-8,23H
InChIKey	SSLABCWOOKUBCS-UHFFFAOYSA-N
XLogP	4.40
TPSA	20.23 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.22
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol?

The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol (CID 162511741) is 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol.

What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol?

The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol is OC(c1cccc(F)c1)(c1ccccc1F)C(F)(F)C(F)(F)F.

What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol?

The InChIKey is SSLABCWOOKUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7O/c16-10-5-3-4-9(8-10)13(23,14(18,19)15(20,21)22)11-6-1-2-7-12(11)17/h1-8,23H.

What are the key properties of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol?

2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 338.22 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 162511741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 162511741 — identifiers, structure, computed properties (public domain)

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