2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene

C8H8F4O — CID 129154753

IUPAC2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
SMILESFC1=CCCC=C1OCC(F)(F)F
InChIInChI=1S/C8H8F4O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h3-4H,1-2,5H2
InChIKeyGHUVWHVYVMUPIA-UHFFFAOYSA-N
MW196.14 g/mol
LogP3.10
Rot. Bonds2

About 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene

2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene (PubChem CID 129154753) has the molecular formula C8H8F4O and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
PubChem CID129154753
Molecular FormulaC8H8F4O
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
SMILESFC1=CCCC=C1OCC(F)(F)F
InChIInChI=1S/C8H8F4O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h3-4H,1-2,5H2
InChIKeyGHUVWHVYVMUPIA-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene (CID 129154753) is 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene is FC1=CCCC=C1OCC(F)(F)F.
What is the InChIKey of 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene?
The InChIKey is GHUVWHVYVMUPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h3-4H,1-2,5H2.
What are the key properties of 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene?
2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene has a molecular weight of 196.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 129154753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).