1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane

C15H26F4O — CID 121408633

IUPAC1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
SMILESCCCCCCCCCCCCO/C=C(/F)C(F)(F)F
InChIInChI=1S/C15H26F4O/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14(16)15(17,18)19/h13H,2-12H2,1H3/b14-13+
InChIKeyNILXQXBUUGRRPX-BUHFOSPRSA-N
MW298.36 g/mol
LogP6.30
Rot. Bonds12

About 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane

1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane (PubChem CID 121408633) has the molecular formula C15H26F4O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane.

Molecular Properties

Compound Name1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
PubChem CID121408633
Molecular FormulaC15H26F4O
Molecular Weight298.36 g/mol
Exact Mass298.19
IUPAC Name1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
SMILESCCCCCCCCCCCCO/C=C(/F)C(F)(F)F
InChIInChI=1S/C15H26F4O/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14(16)15(17,18)19/h13H,2-12H2,1H3/b14-13+
InChIKeyNILXQXBUUGRRPX-BUHFOSPRSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.36
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane?
The IUPAC name of 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane (CID 121408633) is 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane.
What is the SMILES notation for 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane?
The canonical SMILES for 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane is CCCCCCCCCCCCO/C=C(/F)C(F)(F)F.
What is the InChIKey of 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane?
The InChIKey is NILXQXBUUGRRPX-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H26F4O/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14(16)15(17,18)19/h13H,2-12H2,1H3/b14-13+.
What are the key properties of 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane?
1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane has a molecular weight of 298.36 g/mol, XLogP of 6.30, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane is sourced from PubChem (CID 121408633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).