1,1,1-trifluoro-4,4-dimethylhexane

C8H15F3 — CID 22081981

IUPAC1,1,1-trifluoro-4,4-dimethylhexane
SMILESCCC(C)(C)CCC(F)(F)F
InChIInChI=1S/C8H15F3/c1-4-7(2,3)5-6-8(9,10)11/h4-6H2,1-3H3
InChIKeyGSVMEYQNOUZILS-UHFFFAOYSA-N
MW168.20 g/mol
LogP3.77
Rot. Bonds3

About 1,1,1-trifluoro-4,4-dimethylhexane

1,1,1-trifluoro-4,4-dimethylhexane (PubChem CID 22081981) has the molecular formula C8H15F3 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-4,4-dimethylhexane.

Molecular Properties

Compound Name1,1,1-trifluoro-4,4-dimethylhexane
PubChem CID22081981
Molecular FormulaC8H15F3
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name1,1,1-trifluoro-4,4-dimethylhexane
SMILESCCC(C)(C)CCC(F)(F)F
InChIInChI=1S/C8H15F3/c1-4-7(2,3)5-6-8(9,10)11/h4-6H2,1-3H3
InChIKeyGSVMEYQNOUZILS-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2,2,3,3-Heptafluoro-4,4-bis(trifluoromethyl)hexane
CID 13813716
1-(Perfluoro-t-butyl)butane
CID 23236215
1,1,1,2,2,3,3-Heptafluoro-4,4-bis(trifluoromethyl)heptane
CID 13637734
1,1,1,5,5,5-Hexafluoro-3-methyl-3-(2,2,2-trifluoroethyl)pentane
CID 23272226
1-Propyl-1-(trifluoromethyl)cyclopropane
CID 68096317
1,1,1,2,2,3,3-Heptafluoro-4,4-bis(trifluoromethyl)octane
CID 13813717
1,1,1,2,2,3,3,6-Octafluoro-4,4-bis(trifluoromethyl)hexane
CID 15717412
1,1,1-Trifluoro-2,2-dimethylpentane
CID 18520900
1,1,1-Trifluoro-5,5-dimethylhexane
CID 18721644
1,1,1-Trifluoro-4,4-dimethylpentane
CID 19985541
2,2,5,5-Tetramethyl-3-(trifluoromethyl)hexane
CID 20625080
3-Methyl-3-(trifluoromethyl)pentane
CID 20743938

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4,4-dimethylhexane?
The IUPAC name of 1,1,1-trifluoro-4,4-dimethylhexane (CID 22081981) is 1,1,1-trifluoro-4,4-dimethylhexane.
What is the SMILES notation for 1,1,1-trifluoro-4,4-dimethylhexane?
The canonical SMILES for 1,1,1-trifluoro-4,4-dimethylhexane is CCC(C)(C)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4,4-dimethylhexane?
The InChIKey is GSVMEYQNOUZILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3/c1-4-7(2,3)5-6-8(9,10)11/h4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4,4-dimethylhexane?
1,1,1-trifluoro-4,4-dimethylhexane has a molecular weight of 168.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4,4-dimethylhexane is sourced from PubChem (CID 22081981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).