7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane

C17H33F3O — CID 126672046

IUPAC7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane
SMILESCCCCCCCC(C)(CCCCCC)OCC(F)(F)F
InChIInChI=1S/C17H33F3O/c1-4-6-8-10-12-14-16(3,13-11-9-7-5-2)21-15-17(18,19)20/h4-15H2,1-3H3
InChIKeyIPRPDQAWSRVUJF-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.65
Rot. Bonds13

About 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane

7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane (PubChem CID 126672046) has the molecular formula C17H33F3O and a molecular weight of 310.44 g/mol. Its IUPAC name is 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane.

Molecular Properties

Compound Name7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane
PubChem CID126672046
Molecular FormulaC17H33F3O
Molecular Weight310.44 g/mol
Exact Mass310.25
IUPAC Name7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane
SMILESCCCCCCCC(C)(CCCCCC)OCC(F)(F)F
InChIInChI=1S/C17H33F3O/c1-4-6-8-10-12-14-16(3,13-11-9-7-5-2)21-15-17(18,19)20/h4-15H2,1-3H3
InChIKeyIPRPDQAWSRVUJF-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.65
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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane?
The IUPAC name of 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane (CID 126672046) is 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane.
What is the SMILES notation for 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane?
The canonical SMILES for 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane is CCCCCCCC(C)(CCCCCC)OCC(F)(F)F.
What is the InChIKey of 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane?
The InChIKey is IPRPDQAWSRVUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3O/c1-4-6-8-10-12-14-16(3,13-11-9-7-5-2)21-15-17(18,19)20/h4-15H2,1-3H3.
What are the key properties of 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane?
7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane has a molecular weight of 310.44 g/mol, XLogP of 6.65, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-(2,2,2-trifluoroethoxy)tetradecane is sourced from PubChem (CID 126672046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).