(8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne

C15H23F3 — CID 10563303

IUPAC(8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne
SMILESCCCCCC#C/C(=C/C(F)(F)F)CCCCC
InChIInChI=1S/C15H23F3/c1-3-5-7-8-10-12-14(11-9-6-4-2)13-15(16,17)18/h13H,3-9,11H2,1-2H3/b14-13+
InChIKeyAZWLCMZCSVJJID-BUHFOSPRSA-N
MW260.34 g/mol
LogP5.64
Rot. Bonds7

About (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne

(8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne (PubChem CID 10563303) has the molecular formula C15H23F3 and a molecular weight of 260.34 g/mol. Its IUPAC name is (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne.

Molecular Properties

Compound Name(8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne
PubChem CID10563303
Molecular FormulaC15H23F3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name(8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne
SMILESCCCCCC#C/C(=C/C(F)(F)F)CCCCC
InChIInChI=1S/C15H23F3/c1-3-5-7-8-10-12-14(11-9-6-4-2)13-15(16,17)18/h13H,3-9,11H2,1-2H3/b14-13+
InChIKeyAZWLCMZCSVJJID-BUHFOSPRSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
CID 12519453
3,3-Difluoro-1-octylcycloprop-1-ene
CID 15709092
(E)-1,1,1,2,2,3,3,4,4-nonafluorotetradec-7-en-5-yne
CID 14690049
5-(2,2,2-Trifluoroethylidene)nonane
CID 121217681
7,7,8,8,9,9,10,10,10-Nonafluoro-2-methyldec-2-en-5-yne
CID 139264091
8,8-Difluoro-2,6-dimethyltetradec-2-en-9-yne
CID 176432622
1-Hex-1-ynyl-cyclohexene
CID 11147892
5-(3,3,3-Trifluoro-propylidene)-nonane
CID 14400285
(E)-8-ethynyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene
CID 10766125
3,3-Difluoro-8-methylnona-1,7-diene
CID 21510236
1,1,1-Trifluoro-2-methyldec-2-ene
CID 85596314
(6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene
CID 87895276

Frequently Asked Questions

What is the IUPAC name of (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne?
The IUPAC name of (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne (CID 10563303) is (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne.
What is the SMILES notation for (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne?
The canonical SMILES for (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne is CCCCCC#C/C(=C/C(F)(F)F)CCCCC.
What is the InChIKey of (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne?
The InChIKey is AZWLCMZCSVJJID-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H23F3/c1-3-5-7-8-10-12-14(11-9-6-4-2)13-15(16,17)18/h13H,3-9,11H2,1-2H3/b14-13+.
What are the key properties of (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne?
(8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne has a molecular weight of 260.34 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-(2,2,2-trifluoroethylidene)tridec-6-yne is sourced from PubChem (CID 10563303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).