1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene

C7H6F6 — CID 23235218

IUPAC1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene
SMILESCC(C)=C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-4(2)3-5(6(8,9)10)7(11,12)13/h1-2H3
InChIKeyWXTIIVVGGQOXAN-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.60
Rot. Bonds

About 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene

1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene (PubChem CID 23235218) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene
PubChem CID23235218
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene
SMILESCC(C)=C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-4(2)3-5(6(8,9)10)7(11,12)13/h1-2H3
InChIKeyWXTIIVVGGQOXAN-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene?
The IUPAC name of 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene (CID 23235218) is 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene is CC(C)=C=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene?
The InChIKey is WXTIIVVGGQOXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-4(2)3-5(6(8,9)10)7(11,12)13/h1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene?
1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene has a molecular weight of 204.11 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene is sourced from PubChem (CID 23235218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).