2-(trifluoromethoxy)undecane

C12H23F3O — CID 150054524

IUPAC2-(trifluoromethoxy)undecane
SMILESCCCCCCCCCC(C)OC(F)(F)F
InChIInChI=1S/C12H23F3O/c1-3-4-5-6-7-8-9-10-11(2)16-12(13,14)15/h11H,3-10H2,1-2H3
InChIKeyDLZSXDZEYMKVQY-UHFFFAOYSA-N
MW240.31 g/mol
LogP5.05
Rot. Bonds9

About 2-(trifluoromethoxy)undecane

2-(trifluoromethoxy)undecane (PubChem CID 150054524) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(trifluoromethoxy)undecane.

Molecular Properties

Compound Name2-(trifluoromethoxy)undecane
PubChem CID150054524
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name2-(trifluoromethoxy)undecane
SMILESCCCCCCCCCC(C)OC(F)(F)F
InChIInChI=1S/C12H23F3O/c1-3-4-5-6-7-8-9-10-11(2)16-12(13,14)15/h11H,3-10H2,1-2H3
InChIKeyDLZSXDZEYMKVQY-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.31
LogP ≤ 55.05
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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2-ethoxytridecane
CID 54143367
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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)undecane?
The IUPAC name of 2-(trifluoromethoxy)undecane (CID 150054524) is 2-(trifluoromethoxy)undecane.
What is the SMILES notation for 2-(trifluoromethoxy)undecane?
The canonical SMILES for 2-(trifluoromethoxy)undecane is CCCCCCCCCC(C)OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)undecane?
The InChIKey is DLZSXDZEYMKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-3-4-5-6-7-8-9-10-11(2)16-12(13,14)15/h11H,3-10H2,1-2H3.
What are the key properties of 2-(trifluoromethoxy)undecane?
2-(trifluoromethoxy)undecane has a molecular weight of 240.31 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)undecane is sourced from PubChem (CID 150054524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).