2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene

Name: 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₉F₃ — CID 150188224

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

IUPAC2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene

SMILESC=C(C1=CCCC=C1)C(F)(F)F

InChIInChI=1S/C9H9F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h3,5-6H,1-2,4H2

InChIKeyFMWQOALMPLSBPJ-UHFFFAOYSA-N

MW174.16 g/mol

LogP3.38

Rot. Bonds1

About 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene

2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene (PubChem CID 150188224) has the molecular formula C₉H₉F₃ and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name	2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene
PubChem CID	150188224
Molecular Formula	C₉H₉F₃
Molecular Weight	174.16 g/mol
Exact Mass	174.07
IUPAC Name	2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene
SMILES	C=C(C1=CCCC=C1)C(F)(F)F
InChI	InChI=1S/C9H9F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h3,5-6H,1-2,4H2
InChIKey	FMWQOALMPLSBPJ-UHFFFAOYSA-N
XLogP	3.38
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	1
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	174.16
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene?

The IUPAC name of 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene (CID 150188224) is 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene.

What is the SMILES notation for 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene?

The canonical SMILES for 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene is C=C(C1=CCCC=C1)C(F)(F)F.

What is the InChIKey of 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene?

The InChIKey is FMWQOALMPLSBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h3,5-6H,1-2,4H2.

What are the key properties of 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene?

2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene has a molecular weight of 174.16 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 150188224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 150188224 — identifiers, structure, computed properties (public domain)

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