1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane

C14H21F7O — CID 151364459

IUPAC1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane
SMILESCCCCCCCCCCOC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H21F7O/c1-2-3-4-5-6-7-8-9-10-22-12(15)11(13(16,17)18)14(19,20)21/h2-10H2,1H3
InChIKeyOPDFQBIUQRNPOG-UHFFFAOYSA-N
MW338.31 g/mol
LogP6.45
Rot. Bonds10

About 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane

1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane (PubChem CID 151364459) has the molecular formula C14H21F7O and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane.

Molecular Properties

Compound Name1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane
PubChem CID151364459
Molecular FormulaC14H21F7O
Molecular Weight338.31 g/mol
Exact Mass338.15
IUPAC Name1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane
SMILESCCCCCCCCCCOC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H21F7O/c1-2-3-4-5-6-7-8-9-10-22-12(15)11(13(16,17)18)14(19,20)21/h2-10H2,1H3
InChIKeyOPDFQBIUQRNPOG-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 56.45
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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Related Compounds

1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
CID 121408633
1-(2,3,3,3-Tetrafluoroprop-1-enoxy)dodecane
CID 121408635
1-(1,2,2-Trifluoroethenoxy)octane
CID 139891214
1-(1,2,3,3,3-Pentafluoroprop-1-enoxy)heptane
CID 175759768
1-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-2-yl]oxyicosane
CID 54377063
1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
CID 122378025
1-(1,2,3,3,3-Pentafluoroprop-1-enoxy)tetradecane
CID 175204949
1-(1,2,3,3,3-Pentafluoroprop-1-enoxy)octadecane
CID 175212033
1-(1,2,3,3,3-Pentafluoroprop-1-enoxy)tridecane
CID 175216269

Frequently Asked Questions

What is the IUPAC name of 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane?
The IUPAC name of 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane (CID 151364459) is 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane.
What is the SMILES notation for 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane?
The canonical SMILES for 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane is CCCCCCCCCCOC(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane?
The InChIKey is OPDFQBIUQRNPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F7O/c1-2-3-4-5-6-7-8-9-10-22-12(15)11(13(16,17)18)14(19,20)21/h2-10H2,1H3.
What are the key properties of 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane?
1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane has a molecular weight of 338.31 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]decane is sourced from PubChem (CID 151364459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).