1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene

C12H12F12 — CID 71329208

IUPAC1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene
SMILESCCCCCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F12/c1-2-3-4-5-6-7(13)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)24/h6H,2-5H2,1H3
InChIKeyQSMWTZRYLVVETD-UHFFFAOYSA-N
MW384.20 g/mol
LogP6.52
Rot. Bonds8

About 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene

1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene (PubChem CID 71329208) has the molecular formula C12H12F12 and a molecular weight of 384.20 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene
PubChem CID71329208
Molecular FormulaC12H12F12
Molecular Weight384.20 g/mol
Exact Mass384.07
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene
SMILESCCCCCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F12/c1-2-3-4-5-6-7(13)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)24/h6H,2-5H2,1H3
InChIKeyQSMWTZRYLVVETD-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.20
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene (CID 71329208) is 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene is CCCCCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene?
The InChIKey is QSMWTZRYLVVETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F12/c1-2-3-4-5-6-7(13)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)24/h6H,2-5H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene?
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene has a molecular weight of 384.20 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorododec-6-ene is sourced from PubChem (CID 71329208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).