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

C15H26F4O — CID 122378025

IUPAC1-[(Z)-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-YPKPFQOOSA-N
MW298.36 g/mol
LogP6.30
Rot. Bonds12

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

1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane (PubChem CID 122378025) has the molecular formula C15H26F4O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane.

Molecular Properties

Compound Name1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
PubChem CID122378025
Molecular FormulaC15H26F4O
Molecular Weight298.36 g/mol
Exact Mass298.19
IUPAC Name1-[(Z)-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-YPKPFQOOSA-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'}

Analyze 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
CID 121408633
1,1-Difluoro-2-dodecyloxyethene
CID 121408638
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-prop-1-en-2-yloxydecane
CID 53784079
11-Ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane
CID 59641449
1-Ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluorododecane
CID 89674898
1-Ethenoxy-1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,11,12,12-nonadecafluorododecane
CID 89674899
1-Ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,12,12,12-nonadecafluorododecane
CID 89674900
8-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene
CID 90992053
8-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene
CID 91486381
1-(2,3,3,3-Tetrafluoroprop-1-enoxy)dodecane
CID 121408635
9-Ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane
CID 121480379
10-Ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane
CID 121480385

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane?
The IUPAC name of 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane (CID 122378025) is 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane.
What is the SMILES notation for 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane?
The canonical SMILES for 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane is CCCCCCCCCCCCO/C=C(\F)C(F)(F)F.
What is the InChIKey of 1-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane?
The InChIKey is NILXQXBUUGRRPX-YPKPFQOOSA-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-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane?
1-[(Z)-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-[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane is sourced from PubChem (CID 122378025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).