1-[2-(trifluoromethyl)butoxy]octane

C13H25F3O — CID 22002869

IUPAC1-[2-(trifluoromethyl)butoxy]octane
SMILESCCCCCCCCOCC(CC)C(F)(F)F
InChIInChI=1S/C13H25F3O/c1-3-5-6-7-8-9-10-17-11-12(4-2)13(14,15)16/h12H,3-11H2,1-2H3
InChIKeyLMSWNZXAMJCQTH-UHFFFAOYSA-N
MW254.34 g/mol
LogP4.95
Rot. Bonds10

About 1-[2-(trifluoromethyl)butoxy]octane

1-[2-(trifluoromethyl)butoxy]octane (PubChem CID 22002869) has the molecular formula C13H25F3O and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)butoxy]octane.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)butoxy]octane
PubChem CID22002869
Molecular FormulaC13H25F3O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name1-[2-(trifluoromethyl)butoxy]octane
SMILESCCCCCCCCOCC(CC)C(F)(F)F
InChIInChI=1S/C13H25F3O/c1-3-5-6-7-8-9-10-17-11-12(4-2)13(14,15)16/h12H,3-11H2,1-2H3
InChIKeyLMSWNZXAMJCQTH-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
(Trifluoromethyl)decyl ether
CID 11031559
3-Methylbutyl octyl ether
CID 22172573
1-(Difluoromethoxy)decane
CID 14400535
8-Ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 19598606
1-(2,2,2-Trifluoroethoxy)docosane
CID 86009221
1-(Trifluoromethoxy)dodecane
CID 101034469
1-(2,3-Difluoropropoxy)dodecane
CID 155931605
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)butoxy]octane?
The IUPAC name of 1-[2-(trifluoromethyl)butoxy]octane (CID 22002869) is 1-[2-(trifluoromethyl)butoxy]octane.
What is the SMILES notation for 1-[2-(trifluoromethyl)butoxy]octane?
The canonical SMILES for 1-[2-(trifluoromethyl)butoxy]octane is CCCCCCCCOCC(CC)C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)butoxy]octane?
The InChIKey is LMSWNZXAMJCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O/c1-3-5-6-7-8-9-10-17-11-12(4-2)13(14,15)16/h12H,3-11H2,1-2H3.
What are the key properties of 1-[2-(trifluoromethyl)butoxy]octane?
1-[2-(trifluoromethyl)butoxy]octane has a molecular weight of 254.34 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)butoxy]octane is sourced from PubChem (CID 22002869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).