1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane

C17H33F3O3 — CID 150443837

IUPAC1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
SMILESCCOC(OCC)(OCC)C(C)CCCCCCCC(F)(F)F
InChIInChI=1S/C17H33F3O3/c1-5-21-17(22-6-2,23-7-3)15(4)13-11-9-8-10-12-14-16(18,19)20/h15H,5-14H2,1-4H3
InChIKeyHMIJDCWQJYMXMB-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.68
Rot. Bonds14

About 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane

1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane (PubChem CID 150443837) has the molecular formula C17H33F3O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane.

Molecular Properties

Compound Name1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
PubChem CID150443837
Molecular FormulaC17H33F3O3
Molecular Weight342.44 g/mol
Exact Mass342.24
IUPAC Name1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
SMILESCCOC(OCC)(OCC)C(C)CCCCCCCC(F)(F)F
InChIInChI=1S/C17H33F3O3/c1-5-21-17(22-6-2,23-7-3)15(4)13-11-9-8-10-12-14-16(18,19)20/h15H,5-14H2,1-4H3
InChIKeyHMIJDCWQJYMXMB-UHFFFAOYSA-N
XLogP5.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1,13,13,13-hexafluoro-2-methyltridecane
CID 155394639
benzene;1,1,1-triethoxy-2-methyldecane
CID 159401472
1,1,1-tributoxy-2-methyldecane;1,1,1-triethoxy-2-methyldecane
CID 159703510
1,1,1,7,7,7-hexafluoro-2-methylheptane
CID 175563823
1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one
CID 175415315
1,2,3-trifluoro-5-(8,8,8-triethoxy-7-methyloctyl)benzene
CID 150840660
1,1,1-trifluoro-6,7-dimethyloctane
CID 162600398
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
1,1,1-trifluorohexadecane
CID 15685316
8,8,8-trifluoro-2-propyloctanoic acid
CID 15512431
1,1,1-trifluoro-2,10,10-trimethylundecane
CID 89223709
1,1,1-trifluoro-4-methyldecane
CID 147899191

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane?
The IUPAC name of 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane (CID 150443837) is 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane.
What is the SMILES notation for 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane?
The canonical SMILES for 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane is CCOC(OCC)(OCC)C(C)CCCCCCCC(F)(F)F.
What is the InChIKey of 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane?
The InChIKey is HMIJDCWQJYMXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3O3/c1-5-21-17(22-6-2,23-7-3)15(4)13-11-9-8-10-12-14-16(18,19)20/h15H,5-14H2,1-4H3.
What are the key properties of 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane?
1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane has a molecular weight of 342.44 g/mol, XLogP of 5.68, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane is sourced from PubChem (CID 150443837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).