1,1,2-trifluoro-4-methylpenta-1,4-diene

C6H7F3 — CID 102189374

IUPAC1,1,2-trifluoro-4-methylpenta-1,4-diene
SMILESC=C(C)CC(F)=C(F)F
InChIInChI=1S/C6H7F3/c1-4(2)3-5(7)6(8)9/h1,3H2,2H3
InChIKeyRZKIAFDHDGHTPE-UHFFFAOYSA-N
MW136.12 g/mol
LogP3.03
Rot. Bonds2

About 1,1,2-trifluoro-4-methylpenta-1,4-diene

1,1,2-trifluoro-4-methylpenta-1,4-diene (PubChem CID 102189374) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1,1,2-trifluoro-4-methylpenta-1,4-diene.

Molecular Properties

Compound Name1,1,2-trifluoro-4-methylpenta-1,4-diene
PubChem CID102189374
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name1,1,2-trifluoro-4-methylpenta-1,4-diene
SMILESC=C(C)CC(F)=C(F)F
InChIInChI=1S/C6H7F3/c1-4(2)3-5(7)6(8)9/h1,3H2,2H3
InChIKeyRZKIAFDHDGHTPE-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-4-methylpenta-1,4-diene?
The IUPAC name of 1,1,2-trifluoro-4-methylpenta-1,4-diene (CID 102189374) is 1,1,2-trifluoro-4-methylpenta-1,4-diene.
What is the SMILES notation for 1,1,2-trifluoro-4-methylpenta-1,4-diene?
The canonical SMILES for 1,1,2-trifluoro-4-methylpenta-1,4-diene is C=C(C)CC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-4-methylpenta-1,4-diene?
The InChIKey is RZKIAFDHDGHTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c1-4(2)3-5(7)6(8)9/h1,3H2,2H3.
What are the key properties of 1,1,2-trifluoro-4-methylpenta-1,4-diene?
1,1,2-trifluoro-4-methylpenta-1,4-diene has a molecular weight of 136.12 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-4-methylpenta-1,4-diene is sourced from PubChem (CID 102189374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).