1-(3,3,3-trifluoro-2-methylpropoxy)hexane

C10H19F3O — CID 22002831

IUPAC1-(3,3,3-trifluoro-2-methylpropoxy)hexane
SMILESCCCCCCOCC(C)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-4-5-6-7-14-8-9(2)10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyAVALUBVALVUHDN-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.78
Rot. Bonds7

About 1-(3,3,3-trifluoro-2-methylpropoxy)hexane

1-(3,3,3-trifluoro-2-methylpropoxy)hexane (PubChem CID 22002831) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-methylpropoxy)hexane.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-methylpropoxy)hexane
PubChem CID22002831
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name1-(3,3,3-trifluoro-2-methylpropoxy)hexane
SMILESCCCCCCOCC(C)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-4-5-6-7-14-8-9(2)10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyAVALUBVALVUHDN-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.78
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

1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
6-Ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
CID 54330931
Hexyl 2-methylpropyl ether
CID 19911674
1-(2,2,3,3-Tetrafluoropropyloxy)hexane
CID 129766017
2-Fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268
1,1,2,2,3,3,4,4-Octafluoro-5-(2-methylpropoxy)pentane
CID 14595650
7-Ethoxy-1,1,1-trifluoroheptane
CID 19360901
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(2-methylpropoxy)heptane
CID 19761917
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-(2-methylpropoxy)heptane
CID 19761922
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-methylpropoxy)hexane?
The IUPAC name of 1-(3,3,3-trifluoro-2-methylpropoxy)hexane (CID 22002831) is 1-(3,3,3-trifluoro-2-methylpropoxy)hexane.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-methylpropoxy)hexane?
The canonical SMILES for 1-(3,3,3-trifluoro-2-methylpropoxy)hexane is CCCCCCOCC(C)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2-methylpropoxy)hexane?
The InChIKey is AVALUBVALVUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-3-4-5-6-7-14-8-9(2)10(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3,3,3-trifluoro-2-methylpropoxy)hexane?
1-(3,3,3-trifluoro-2-methylpropoxy)hexane has a molecular weight of 212.25 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-methylpropoxy)hexane is sourced from PubChem (CID 22002831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).