1-[2-(trifluoromethyl)butoxy]hexane

C11H21F3O — CID 22002832

IUPAC1-[2-(trifluoromethyl)butoxy]hexane
SMILESCCCCCCOCC(CC)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-3-5-6-7-8-15-9-10(4-2)11(12,13)14/h10H,3-9H2,1-2H3
InChIKeyMTAKRGAXYHXERX-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.17
Rot. Bonds8

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

1-[2-(trifluoromethyl)butoxy]hexane (PubChem CID 22002832) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)butoxy]hexane.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)butoxy]hexane
PubChem CID22002832
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name1-[2-(trifluoromethyl)butoxy]hexane
SMILESCCCCCCOCC(CC)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-3-5-6-7-8-15-9-10(4-2)11(12,13)14/h10H,3-9H2,1-2H3
InChIKeyMTAKRGAXYHXERX-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.17
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

1-(2,2,3,3-Tetrafluoropropyloxy)hexane
CID 129766017
1-(3-Methylbutoxy)hexane
CID 23119235
[Ethoxy(difluoro)methyl]cyclopentane
CID 18725580
2,2,3,3,4,4,5,5-Octafluoro-1-(2-methylpropoxy)hexane
CID 19782043
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-(2-methylpropoxy)hexane
CID 19797730
1-(1,1-Difluoro-2-methylbutoxy)hexane
CID 20823309
1-(1,1-Difluorobutoxy)hexane
CID 20823310
2-Methyl-1-(4,4,4-trifluorobutoxy)butane
CID 21657863
1-(4,4,4-Trifluorobutoxy)hexane
CID 21657871
1-(5,5,5-Trifluoropentoxy)hexane
CID 21657906
1-(2,3-Difluoropropoxy)hexane
CID 22002796
1-(3,3,3-Trifluoro-2-methylpropoxy)hexane
CID 22002831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)butoxy]hexane?
The IUPAC name of 1-[2-(trifluoromethyl)butoxy]hexane (CID 22002832) is 1-[2-(trifluoromethyl)butoxy]hexane.
What is the SMILES notation for 1-[2-(trifluoromethyl)butoxy]hexane?
The canonical SMILES for 1-[2-(trifluoromethyl)butoxy]hexane is CCCCCCOCC(CC)C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)butoxy]hexane?
The InChIKey is MTAKRGAXYHXERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O/c1-3-5-6-7-8-15-9-10(4-2)11(12,13)14/h10H,3-9H2,1-2H3.
What are the key properties of 1-[2-(trifluoromethyl)butoxy]hexane?
1-[2-(trifluoromethyl)butoxy]hexane has a molecular weight of 226.28 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)butoxy]hexane is sourced from PubChem (CID 22002832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).