1,3-difluorobenzene;1,4-difluorobenzene

Name: 1,3-difluorobenzene;1,4-difluorobenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₈F₄ — CID 159873588

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

IUPAC1,3-difluorobenzene;1,4-difluorobenzene

SMILESFc1ccc(F)cc1.Fc1cccc(F)c1

InChIInChI=1S/2C6H4F2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H

InChIKeyNSPSTMKGFXVGTR-UHFFFAOYSA-N

MW228.19 g/mol

LogP3.93

Rot. Bonds

About 1,3-difluorobenzene;1,4-difluorobenzene

1,3-difluorobenzene;1,4-difluorobenzene (PubChem CID 159873588) has the molecular formula C₁₂H₈F₄ and a molecular weight of 228.19 g/mol. Its IUPAC name is 1,3-difluorobenzene;1,4-difluorobenzene.

Molecular Properties

Compound Name	1,3-difluorobenzene;1,4-difluorobenzene
PubChem CID	159873588
Molecular Formula	C₁₂H₈F₄
Molecular Weight	228.19 g/mol
Exact Mass	228.06
IUPAC Name	1,3-difluorobenzene;1,4-difluorobenzene
SMILES	Fc1ccc(F)cc1.Fc1cccc(F)c1
InChI	InChI=1S/2C6H4F2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H
InChIKey	NSPSTMKGFXVGTR-UHFFFAOYSA-N
XLogP	3.93
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	228.19
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;1,4-difluorobenzene?

The IUPAC name of 1,3-difluorobenzene;1,4-difluorobenzene (CID 159873588) is 1,3-difluorobenzene;1,4-difluorobenzene.

What is the SMILES notation for 1,3-difluorobenzene;1,4-difluorobenzene?

The canonical SMILES for 1,3-difluorobenzene;1,4-difluorobenzene is Fc1ccc(F)cc1.Fc1cccc(F)c1.

What is the InChIKey of 1,3-difluorobenzene;1,4-difluorobenzene?

The InChIKey is NSPSTMKGFXVGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F2/c7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h2*1-4H.

What are the key properties of 1,3-difluorobenzene;1,4-difluorobenzene?

1,3-difluorobenzene;1,4-difluorobenzene has a molecular weight of 228.19 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluorobenzene;1,4-difluorobenzene is sourced from PubChem (CID 159873588), 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 159873588 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.