1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane

Name: 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₇F₅ — CID 143726986

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

IUPAC1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane

SMILESCC.Cc1ccc(-c2cc(F)c(C=CC(F)(F)F)c(F)c2)cc1

InChIInChI=1S/C16H11F5.C2H6/c1-10-2-4-11(5-3-10)12-8-14(17)13(15(18)9-12)6-7-16(19,20)21;1-2/h2-9H,1H3;1-2H3

InChIKeyZIVNADRZYRBZMD-UHFFFAOYSA-N

MW328.32 g/mol

LogP6.54

Rot. Bonds2

About 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane

1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane (PubChem CID 143726986) has the molecular formula C₁₈H₁₇F₅ and a molecular weight of 328.32 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane.

Molecular Properties

Compound Name	1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane
PubChem CID	143726986
Molecular Formula	C₁₈H₁₇F₅
Molecular Weight	328.32 g/mol
Exact Mass	328.13
IUPAC Name	1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane
SMILES	CC.Cc1ccc(-c2cc(F)c(C=CC(F)(F)F)c(F)c2)cc1
InChI	InChI=1S/C16H11F5.C2H6/c1-10-2-4-11(5-3-10)12-8-14(17)13(15(18)9-12)6-7-16(19,20)21;1-2/h2-9H,1H3;1-2H3
InChIKey	ZIVNADRZYRBZMD-UHFFFAOYSA-N
XLogP	6.54
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	2
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	328.32
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane?

The IUPAC name of 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane (CID 143726986) is 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane.

What is the SMILES notation for 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane?

The canonical SMILES for 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane is CC.Cc1ccc(-c2cc(F)c(C=CC(F)(F)F)c(F)c2)cc1.

What is the InChIKey of 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane?

The InChIKey is ZIVNADRZYRBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5.C2H6/c1-10-2-4-11(5-3-10)12-8-14(17)13(15(18)9-12)6-7-16(19,20)21;1-2/h2-9H,1H3;1-2H3.

What are the key properties of 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane?

1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane has a molecular weight of 328.32 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane is sourced from PubChem (CID 143726986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 143726986 — identifiers, structure, computed properties (public domain)

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