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

C7H9F3 — CID 90166011

IUPAC4-methyl-2-(trifluoromethyl)penta-1,3-diene
SMILESC=C(C=C(C)C)C(F)(F)F
InChIInChI=1S/C7H9F3/c1-5(2)4-6(3)7(8,9)10/h4H,3H2,1-2H3
InChIKeyOFCQRWAGTANYTR-UHFFFAOYSA-N
MW150.14 g/mol
LogP3.07
Rot. Bonds1

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

4-methyl-2-(trifluoromethyl)penta-1,3-diene (PubChem CID 90166011) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)penta-1,3-diene
PubChem CID90166011
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name4-methyl-2-(trifluoromethyl)penta-1,3-diene
SMILESC=C(C=C(C)C)C(F)(F)F
InChIInChI=1S/C7H9F3/c1-5(2)4-6(3)7(8,9)10/h4H,3H2,1-2H3
InChIKeyOFCQRWAGTANYTR-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)penta-1,3-diene?
The IUPAC name of 4-methyl-2-(trifluoromethyl)penta-1,3-diene (CID 90166011) is 4-methyl-2-(trifluoromethyl)penta-1,3-diene.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)penta-1,3-diene?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)penta-1,3-diene is C=C(C=C(C)C)C(F)(F)F.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)penta-1,3-diene?
The InChIKey is OFCQRWAGTANYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c1-5(2)4-6(3)7(8,9)10/h4H,3H2,1-2H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)penta-1,3-diene?
4-methyl-2-(trifluoromethyl)penta-1,3-diene has a molecular weight of 150.14 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 90166011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).