1,1,1-trifluoro-2-methoxy-3-methyldecane

C12H23F3O — CID 89339992

IUPAC1,1,1-trifluoro-2-methoxy-3-methyldecane
SMILESCCCCCCCC(C)C(OC)C(F)(F)F
InChIInChI=1S/C12H23F3O/c1-4-5-6-7-8-9-10(2)11(16-3)12(13,14)15/h10-11H,4-9H2,1-3H3
InChIKeyLRIFBUUZOAXFOB-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.56
Rot. Bonds8

About 1,1,1-trifluoro-2-methoxy-3-methyldecane

1,1,1-trifluoro-2-methoxy-3-methyldecane (PubChem CID 89339992) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxy-3-methyldecane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxy-3-methyldecane
PubChem CID89339992
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name1,1,1-trifluoro-2-methoxy-3-methyldecane
SMILESCCCCCCCC(C)C(OC)C(F)(F)F
InChIInChI=1S/C12H23F3O/c1-4-5-6-7-8-9-10(2)11(16-3)12(13,14)15/h10-11H,4-9H2,1-3H3
InChIKeyLRIFBUUZOAXFOB-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.56
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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxy-3-methyldecane?
The IUPAC name of 1,1,1-trifluoro-2-methoxy-3-methyldecane (CID 89339992) is 1,1,1-trifluoro-2-methoxy-3-methyldecane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxy-3-methyldecane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxy-3-methyldecane is CCCCCCCC(C)C(OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxy-3-methyldecane?
The InChIKey is LRIFBUUZOAXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-4-5-6-7-8-9-10(2)11(16-3)12(13,14)15/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-methoxy-3-methyldecane?
1,1,1-trifluoro-2-methoxy-3-methyldecane has a molecular weight of 240.31 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methoxy-3-methyldecane is sourced from PubChem (CID 89339992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).