1-(trifluoromethoxy)decane

C11H21F3O — CID 11031559

IUPAC1-(trifluoromethoxy)decane
SMILESCCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C11H21F3O/c1-2-3-4-5-6-7-8-9-10-15-11(12,13)14/h2-10H2,1H3
InChIKeyRFZOSOYNCBFYOD-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.66
Rot. Bonds9

About 1-(trifluoromethoxy)decane

1-(trifluoromethoxy)decane (PubChem CID 11031559) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(trifluoromethoxy)decane.

Molecular Properties

Compound Name1-(trifluoromethoxy)decane
PubChem CID11031559
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name1-(trifluoromethoxy)decane
SMILESCCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C11H21F3O/c1-2-3-4-5-6-7-8-9-10-15-11(12,13)14/h2-10H2,1H3
InChIKeyRFZOSOYNCBFYOD-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.66
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 1-(trifluoromethoxy)decane?
The IUPAC name of 1-(trifluoromethoxy)decane (CID 11031559) is 1-(trifluoromethoxy)decane.
What is the SMILES notation for 1-(trifluoromethoxy)decane?
The canonical SMILES for 1-(trifluoromethoxy)decane is CCCCCCCCCCOC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)decane?
The InChIKey is RFZOSOYNCBFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O/c1-2-3-4-5-6-7-8-9-10-15-11(12,13)14/h2-10H2,1H3.
What are the key properties of 1-(trifluoromethoxy)decane?
1-(trifluoromethoxy)decane has a molecular weight of 226.28 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)decane is sourced from PubChem (CID 11031559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).