11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene

C12H18F6 — CID 59689345

IUPAC11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene
SMILESC=CCC(CCCCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6/c1-2-7-10(12(16,17)18)8-5-3-4-6-9-11(13,14)15/h2,10H,1,3-9H2
InChIKeySEKLMOQUWIVAFK-UHFFFAOYSA-N
MW276.26 g/mol
LogP5.64
Rot. Bonds8

About 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene

11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene (PubChem CID 59689345) has the molecular formula C12H18F6 and a molecular weight of 276.26 g/mol. Its IUPAC name is 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene.

Molecular Properties

Compound Name11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene
PubChem CID59689345
Molecular FormulaC12H18F6
Molecular Weight276.26 g/mol
Exact Mass276.13
IUPAC Name11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene
SMILESC=CCC(CCCCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6/c1-2-7-10(12(16,17)18)8-5-3-4-6-9-11(13,14)15/h2,10H,1,3-9H2
InChIKeySEKLMOQUWIVAFK-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.26
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene?
The IUPAC name of 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene (CID 59689345) is 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene.
What is the SMILES notation for 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene?
The canonical SMILES for 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene is C=CCC(CCCCCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene?
The InChIKey is SEKLMOQUWIVAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6/c1-2-7-10(12(16,17)18)8-5-3-4-6-9-11(13,14)15/h2,10H,1,3-9H2.
What are the key properties of 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene?
11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene has a molecular weight of 276.26 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,11-trifluoro-4-(trifluoromethyl)undec-1-ene is sourced from PubChem (CID 59689345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).