6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene

C12H15F9 — CID 87159227

IUPAC6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene
SMILESC=CCC(CC(F)(F)CC(F)(F)CC(C)(F)F)C(F)(F)F
InChIInChI=1S/C12H15F9/c1-3-4-8(12(19,20)21)5-10(15,16)7-11(17,18)6-9(2,13)14/h3,8H,1,4-7H2,2H3
InChIKeyHTHKHLYIBRSSQU-UHFFFAOYSA-N
MW330.23 g/mol
LogP5.84
Rot. Bonds8

About 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene

6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene (PubChem CID 87159227) has the molecular formula C12H15F9 and a molecular weight of 330.23 g/mol. Its IUPAC name is 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene.

Molecular Properties

Compound Name6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene
PubChem CID87159227
Molecular FormulaC12H15F9
Molecular Weight330.23 g/mol
Exact Mass330.10
IUPAC Name6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene
SMILESC=CCC(CC(F)(F)CC(F)(F)CC(C)(F)F)C(F)(F)F
InChIInChI=1S/C12H15F9/c1-3-4-8(12(19,20)21)5-10(15,16)7-11(17,18)6-9(2,13)14/h3,8H,1,4-7H2,2H3
InChIKeyHTHKHLYIBRSSQU-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.23
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene 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-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium
CID 157244986
6-iodo-4,6-bis(trifluoromethyl)oct-1-ene
CID 143087548
(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene
CID 58419060
N-ethenyl-2,2,4,4-tetrafluoropentan-1-amine
CID 158174051
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
2,2,4,4,6,6,8,8-octafluorodecane
CID 126493051
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
CID 91535959
(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene
CID 59039339
4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane
CID 58292446
1,1,1,2,2,4,4,6,6,8,8,10,10-tridecafluoro-12-methyltridecane
CID 58100020
[(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate
CID 173279560
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene
CID 58901154

Frequently Asked Questions

What is the IUPAC name of 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene?
The IUPAC name of 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene (CID 87159227) is 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene.
What is the SMILES notation for 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene?
The canonical SMILES for 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene is C=CCC(CC(F)(F)CC(F)(F)CC(C)(F)F)C(F)(F)F.
What is the InChIKey of 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene?
The InChIKey is HTHKHLYIBRSSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9/c1-3-4-8(12(19,20)21)5-10(15,16)7-11(17,18)6-9(2,13)14/h3,8H,1,4-7H2,2H3.
What are the key properties of 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene?
6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene has a molecular weight of 330.23 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene is sourced from PubChem (CID 87159227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).