1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene

C12H19F5O2 — CID 130211313

IUPAC1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene
SMILESCOCCOC(=C(C(C)(C)F)C(C)(C)F)C(F)(F)F
InChIInChI=1S/C12H19F5O2/c1-10(2,13)8(11(3,4)14)9(12(15,16)17)19-7-6-18-5/h6-7H2,1-5H3
InChIKeyPMPFKTBXEZRQBV-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.96
Rot. Bonds6

About 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene

1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene (PubChem CID 130211313) has the molecular formula C12H19F5O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene.

Molecular Properties

Compound Name1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene
PubChem CID130211313
Molecular FormulaC12H19F5O2
Molecular Weight290.27 g/mol
Exact Mass290.13
IUPAC Name1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene
SMILESCOCCOC(=C(C(C)(C)F)C(C)(C)F)C(F)(F)F
InChIInChI=1S/C12H19F5O2/c1-10(2,13)8(11(3,4)14)9(12(15,16)17)19-7-6-18-5/h6-7H2,1-5H3
InChIKeyPMPFKTBXEZRQBV-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene?
The IUPAC name of 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene (CID 130211313) is 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene.
What is the SMILES notation for 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene?
The canonical SMILES for 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene is COCCOC(=C(C(C)(C)F)C(C)(C)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene?
The InChIKey is PMPFKTBXEZRQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F5O2/c1-10(2,13)8(11(3,4)14)9(12(15,16)17)19-7-6-18-5/h6-7H2,1-5H3.
What are the key properties of 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene?
1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene has a molecular weight of 290.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-2-(2-methoxyethoxy)-4-methylpent-2-ene is sourced from PubChem (CID 130211313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).