1-(1,1-difluoro-2-methylbutoxy)hexane

C11H22F2O — CID 20823309

IUPAC1-(1,1-difluoro-2-methylbutoxy)hexane
SMILESCCCCCCOC(F)(F)C(C)CC
InChIInChI=1S/C11H22F2O/c1-4-6-7-8-9-14-11(12,13)10(3)5-2/h10H,4-9H2,1-3H3
InChIKeyDFIZBQUYNYPILA-UHFFFAOYSA-N
MW208.29 g/mol
LogP4.22
Rot. Bonds8

About 1-(1,1-difluoro-2-methylbutoxy)hexane

1-(1,1-difluoro-2-methylbutoxy)hexane (PubChem CID 20823309) has the molecular formula C11H22F2O and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methylbutoxy)hexane.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methylbutoxy)hexane
PubChem CID20823309
Molecular FormulaC11H22F2O
Molecular Weight208.29 g/mol
Exact Mass208.16
IUPAC Name1-(1,1-difluoro-2-methylbutoxy)hexane
SMILESCCCCCCOC(F)(F)C(C)CC
InChIInChI=1S/C11H22F2O/c1-4-6-7-8-9-14-11(12,13)10(3)5-2/h10H,4-9H2,1-3H3
InChIKeyDFIZBQUYNYPILA-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 54.22
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-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
1-[2-(Trifluoromethyl)butoxy]hexane
CID 22002832

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-methylbutoxy)hexane?
The IUPAC name of 1-(1,1-difluoro-2-methylbutoxy)hexane (CID 20823309) is 1-(1,1-difluoro-2-methylbutoxy)hexane.
What is the SMILES notation for 1-(1,1-difluoro-2-methylbutoxy)hexane?
The canonical SMILES for 1-(1,1-difluoro-2-methylbutoxy)hexane is CCCCCCOC(F)(F)C(C)CC.
What is the InChIKey of 1-(1,1-difluoro-2-methylbutoxy)hexane?
The InChIKey is DFIZBQUYNYPILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O/c1-4-6-7-8-9-14-11(12,13)10(3)5-2/h10H,4-9H2,1-3H3.
What are the key properties of 1-(1,1-difluoro-2-methylbutoxy)hexane?
1-(1,1-difluoro-2-methylbutoxy)hexane has a molecular weight of 208.29 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-methylbutoxy)hexane is sourced from PubChem (CID 20823309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).