1,1,1-trifluoro-2,4-dimethoxypent-2-ene

C7H11F3O2 — CID 123570794

IUPAC1,1,1-trifluoro-2,4-dimethoxypent-2-ene
SMILESCOC(=CC(C)OC)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-5(11-2)4-6(12-3)7(8,9)10/h4-5H,1-3H3
InChIKeyZVTISAVHOQPNGV-UHFFFAOYSA-N
MW184.16 g/mol
LogP2.11
Rot. Bonds3

About 1,1,1-trifluoro-2,4-dimethoxypent-2-ene

1,1,1-trifluoro-2,4-dimethoxypent-2-ene (PubChem CID 123570794) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,4-dimethoxypent-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-2,4-dimethoxypent-2-ene
PubChem CID123570794
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name1,1,1-trifluoro-2,4-dimethoxypent-2-ene
SMILESCOC(=CC(C)OC)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-5(11-2)4-6(12-3)7(8,9)10/h4-5H,1-3H3
InChIKeyZVTISAVHOQPNGV-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,4-dimethoxypent-2-ene?
The IUPAC name of 1,1,1-trifluoro-2,4-dimethoxypent-2-ene (CID 123570794) is 1,1,1-trifluoro-2,4-dimethoxypent-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-2,4-dimethoxypent-2-ene?
The canonical SMILES for 1,1,1-trifluoro-2,4-dimethoxypent-2-ene is COC(=CC(C)OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,4-dimethoxypent-2-ene?
The InChIKey is ZVTISAVHOQPNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-5(11-2)4-6(12-3)7(8,9)10/h4-5H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2,4-dimethoxypent-2-ene?
1,1,1-trifluoro-2,4-dimethoxypent-2-ene has a molecular weight of 184.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,4-dimethoxypent-2-ene is sourced from PubChem (CID 123570794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).