1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane

C11H16F8 — CID 20770017

IUPAC1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane
SMILESCC(CF)CC(C)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C11H16F8/c1-7(5-12)4-8(2,11(17,18)19)10(15,16)6-9(3,13)14/h7H,4-6H2,1-3H3
InChIKeySPDHCHZOMYBYLR-UHFFFAOYSA-N
MW300.23 g/mol
LogP5.23
Rot. Bonds6

About 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane

1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane (PubChem CID 20770017) has the molecular formula C11H16F8 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane.

Molecular Properties

Compound Name1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane
PubChem CID20770017
Molecular FormulaC11H16F8
Molecular Weight300.23 g/mol
Exact Mass300.11
IUPAC Name1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane
SMILESCC(CF)CC(C)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C11H16F8/c1-7(5-12)4-8(2,11(17,18)19)10(15,16)6-9(3,13)14/h7H,4-6H2,1-3H3
InChIKeySPDHCHZOMYBYLR-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.23
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane 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

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-methyldecane
CID 22011097
3-(Perfluorohexyl)-2-methylpropane
CID 22011095
1,1,1,2,2,3,3,4,4-Nonafluoro-7-methyloctane
CID 22011096
4-Tert-butyl-1,1-difluorocyclohexane
CID 640499
3-Butyl-1,1-difluoro-2,2-dimethylcyclopropane
CID 132918858
1,1-Difluoro-4,4-dimethyl-cycloheptane
CID 129653265
4-(Difluoromethyl)octane
CID 14909954
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-methyldodecane
CID 20576124
9-Ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-methyldodecane
CID 91148489
(3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane
CID 134970476
2,2-Difluoroethylcyclododecane
CID 166446773
Nonane, 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methyl-
CID 10570347

Frequently Asked Questions

What is the IUPAC name of 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane?
The IUPAC name of 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane (CID 20770017) is 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane.
What is the SMILES notation for 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane?
The canonical SMILES for 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane is CC(CF)CC(C)(C(F)(F)F)C(F)(F)CC(C)(F)F.
What is the InChIKey of 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane?
The InChIKey is SPDHCHZOMYBYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F8/c1-7(5-12)4-8(2,11(17,18)19)10(15,16)6-9(3,13)14/h7H,4-6H2,1-3H3.
What are the key properties of 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane?
1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane has a molecular weight of 300.23 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,7,7-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane is sourced from PubChem (CID 20770017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).