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

C9H9F3 — CID 150188224

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 Name2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene
PubChem CID150188224
Molecular FormulaC9H9F3
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name2-(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
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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).