1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane

C16H27F5O — CID 175216269

IUPAC1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane
SMILESCCCCCCCCCCCCCOC(F)=C(F)C(F)(F)F
InChIInChI=1S/C16H27F5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-15(18)14(17)16(19,20)21/h2-13H2,1H3
InChIKeySQCQCEUCAZEJNL-UHFFFAOYSA-N
MW330.38 g/mol
LogP6.98
Rot. Bonds13

About 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane

1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane (PubChem CID 175216269) has the molecular formula C16H27F5O and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane.

Molecular Properties

Compound Name1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane
PubChem CID175216269
Molecular FormulaC16H27F5O
Molecular Weight330.38 g/mol
Exact Mass330.20
IUPAC Name1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane
SMILESCCCCCCCCCCCCCOC(F)=C(F)C(F)(F)F
InChIInChI=1S/C16H27F5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-15(18)14(17)16(19,20)21/h2-13H2,1H3
InChIKeySQCQCEUCAZEJNL-UHFFFAOYSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 56.98
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
1,1-Difluoro-2-dodecyloxyethene
CID 121408638
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecoxy)dodecane
CID 10985064
(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)(octyl) ether
CID 18787823
10-Decoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 18787825
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl)(octyl) ether
CID 18787826
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)(octyl) ether
CID 18787827
Dodecyl{2-(perfluorodecyl)ethyl}ether
CID 19598604
1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctoxy)dodecane
CID 19598605
2,2,3,3,4,4,5,5-Octafluoro-1-hexoxydodecane
CID 19782060
14-Ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetradecane
CID 57945541
1-(Trifluoromethoxy)pentadecane
CID 59121955

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane?
The IUPAC name of 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane (CID 175216269) is 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane.
What is the SMILES notation for 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane?
The canonical SMILES for 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane is CCCCCCCCCCCCCOC(F)=C(F)C(F)(F)F.
What is the InChIKey of 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane?
The InChIKey is SQCQCEUCAZEJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-15(18)14(17)16(19,20)21/h2-13H2,1H3.
What are the key properties of 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane?
1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane has a molecular weight of 330.38 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tridecane is sourced from PubChem (CID 175216269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).