1-(trifluoromethoxy)dodecane

C13H25F3O — CID 101034469

IUPAC1-(trifluoromethoxy)dodecane
SMILESCCCCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C13H25F3O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(14,15)16/h2-12H2,1H3
InChIKeyHZVKRMBKNVWAGZ-UHFFFAOYSA-N
MW254.34 g/mol
LogP5.44
Rot. Bonds11

About 1-(trifluoromethoxy)dodecane

1-(trifluoromethoxy)dodecane (PubChem CID 101034469) has the molecular formula C13H25F3O and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-(trifluoromethoxy)dodecane.

Molecular Properties

Compound Name1-(trifluoromethoxy)dodecane
PubChem CID101034469
Molecular FormulaC13H25F3O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name1-(trifluoromethoxy)dodecane
SMILESCCCCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C13H25F3O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(14,15)16/h2-12H2,1H3
InChIKeyHZVKRMBKNVWAGZ-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.34
LogP ≤ 55.44
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

Decane, 1-methoxy-
CID 23716
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
1-Methoxynonane
CID 522469
1-Methoxyundecane
CID 542197
Ethyl perfluorooctyl ether
CID 87277037
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
(Trifluoromethyl)decyl ether
CID 11031559
Nonyl hypofluorite
CID 21350967
1,1-Difluoro-2-dodecyloxyethene
CID 121408638

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)dodecane?
The IUPAC name of 1-(trifluoromethoxy)dodecane (CID 101034469) is 1-(trifluoromethoxy)dodecane.
What is the SMILES notation for 1-(trifluoromethoxy)dodecane?
The canonical SMILES for 1-(trifluoromethoxy)dodecane is CCCCCCCCCCCCOC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)dodecane?
The InChIKey is HZVKRMBKNVWAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(14,15)16/h2-12H2,1H3.
What are the key properties of 1-(trifluoromethoxy)dodecane?
1-(trifluoromethoxy)dodecane has a molecular weight of 254.34 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)dodecane is sourced from PubChem (CID 101034469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).