(E)-1,1,1-trifluoro-12-methoxydodec-3-ene

C13H23F3O — CID 102340127

IUPAC(E)-1,1,1-trifluoro-12-methoxydodec-3-ene
SMILESCOCCCCCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C13H23F3O/c1-17-12-10-8-6-4-2-3-5-7-9-11-13(14,15)16/h7,9H,2-6,8,10-12H2,1H3/b9-7+
InChIKeyJXPIFNSDAPZMED-VQHVLOKHSA-N
MW252.32 g/mol
LogP4.87
Rot. Bonds10

About (E)-1,1,1-trifluoro-12-methoxydodec-3-ene

(E)-1,1,1-trifluoro-12-methoxydodec-3-ene (PubChem CID 102340127) has the molecular formula C13H23F3O and a molecular weight of 252.32 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-12-methoxydodec-3-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-12-methoxydodec-3-ene
PubChem CID102340127
Molecular FormulaC13H23F3O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name(E)-1,1,1-trifluoro-12-methoxydodec-3-ene
SMILESCOCCCCCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C13H23F3O/c1-17-12-10-8-6-4-2-3-5-7-9-11-13(14,15)16/h7,9H,2-6,8,10-12H2,1H3/b9-7+
InChIKeyJXPIFNSDAPZMED-VQHVLOKHSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,7-Difluoro-8Z-dodecenyl acetate
CID 14354629
Oleyl alcohol, methyl ether
CID 12550087
(E)-11,11,11-trifluoroundec-8-en-1-ol
CID 90276508
1-Methoxyoctadec-9-ene
CID 551192
11,11-Difluoro-9Z-dodecenyl acetate
CID 14521711
1-Methoxytridec-5-ene
CID 6366338
(E)-12,12,12-trifluorododec-9-en-1-ol
CID 122391659
2-(9,9,10,10,11,11,12,12,12-Nonafluorododec-7-en-1-yl)oxirane
CID 129750134
2-(9,9,9-Trifluoronon-7-en-1-yl)oxirane
CID 129750535
Difluoro-8-dodecenyl acetate
CID 129776588
2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane
CID 162401105
2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane
CID 164669326

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-12-methoxydodec-3-ene?
The IUPAC name of (E)-1,1,1-trifluoro-12-methoxydodec-3-ene (CID 102340127) is (E)-1,1,1-trifluoro-12-methoxydodec-3-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-12-methoxydodec-3-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-12-methoxydodec-3-ene is COCCCCCCCC/C=C/CC(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-12-methoxydodec-3-ene?
The InChIKey is JXPIFNSDAPZMED-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H23F3O/c1-17-12-10-8-6-4-2-3-5-7-9-11-13(14,15)16/h7,9H,2-6,8,10-12H2,1H3/b9-7+.
What are the key properties of (E)-1,1,1-trifluoro-12-methoxydodec-3-ene?
(E)-1,1,1-trifluoro-12-methoxydodec-3-ene has a molecular weight of 252.32 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-12-methoxydodec-3-ene is sourced from PubChem (CID 102340127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).