2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene

C7H6F4 — CID 146630801

IUPAC2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C7H6F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1,3-5H,2H2
InChIKeyGEICCBRMYUGRCU-UHFFFAOYSA-N
MW166.12 g/mol
LogP2.98
Rot. Bonds

About 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene

2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 146630801) has the molecular formula C7H6F4 and a molecular weight of 166.12 g/mol. Its IUPAC name is 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID146630801
Molecular FormulaC7H6F4
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C7H6F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1,3-5H,2H2
InChIKeyGEICCBRMYUGRCU-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene (CID 146630801) is 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene is FC1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is GEICCBRMYUGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1,3-5H,2H2.
What are the key properties of 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene?
2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 166.12 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 146630801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).