2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane

C7H9F5O — CID 23236386

IUPAC2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane
SMILESCCC(C)OC(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F5O/c1-3-4(2)13-5(6(8)9)7(10,11)12/h4H,3H2,1-2H3
InChIKeyGAGXLUCQRMRZPU-UHFFFAOYSA-N
MW204.14 g/mol
LogP3.47
Rot. Bonds3

About 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane

2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane (PubChem CID 23236386) has the molecular formula C7H9F5O and a molecular weight of 204.14 g/mol. Its IUPAC name is 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane.

Molecular Properties

Compound Name2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane
PubChem CID23236386
Molecular FormulaC7H9F5O
Molecular Weight204.14 g/mol
Exact Mass204.06
IUPAC Name2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane
SMILESCCC(C)OC(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F5O/c1-3-4(2)13-5(6(8)9)7(10,11)12/h4H,3H2,1-2H3
InChIKeyGAGXLUCQRMRZPU-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane?
The IUPAC name of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane (CID 23236386) is 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane.
What is the SMILES notation for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane?
The canonical SMILES for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane is CCC(C)OC(=C(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane?
The InChIKey is GAGXLUCQRMRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O/c1-3-4(2)13-5(6(8)9)7(10,11)12/h4H,3H2,1-2H3.
What are the key properties of 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane?
2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane has a molecular weight of 204.14 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3,3-pentafluoroprop-1-en-2-yloxy)butane is sourced from PubChem (CID 23236386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).