1-(trifluoromethoxy)hexadecane

C17H33F3O — CID 10924964

IUPAC1-(trifluoromethoxy)hexadecane
SMILESCCCCCCCCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C17H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h2-16H2,1H3
InChIKeyKVIAHCCRIBEUDL-UHFFFAOYSA-N
MW310.44 g/mol
LogP7.00
Rot. Bonds15

About 1-(trifluoromethoxy)hexadecane

1-(trifluoromethoxy)hexadecane (PubChem CID 10924964) has the molecular formula C17H33F3O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(trifluoromethoxy)hexadecane.

Molecular Properties

Compound Name1-(trifluoromethoxy)hexadecane
PubChem CID10924964
Molecular FormulaC17H33F3O
Molecular Weight310.44 g/mol
Exact Mass310.25
IUPAC Name1-(trifluoromethoxy)hexadecane
SMILESCCCCCCCCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C17H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h2-16H2,1H3
InChIKeyKVIAHCCRIBEUDL-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 57.00
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

1-Methoxyhexadecane
CID 542228
1-Methoxyoctadecane
CID 14026379
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
(Trifluoromethyl)decyl ether
CID 11031559
Eicosyl methyl ether
CID 54300245
1-Docosanol, methyl ether
CID 87077550
1,1-Difluoro-2-dodecyloxyethene
CID 121408638
Methyl tetracosyl ether
CID 20507465
Hexacosyl methyl ether
CID 20780514
Methyl triacontyl ether
CID 53682466
Methyl octacosyl ether
CID 54530702
1,1-Difluoro-1-methoxyoctane
CID 11332828

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)hexadecane?
The IUPAC name of 1-(trifluoromethoxy)hexadecane (CID 10924964) is 1-(trifluoromethoxy)hexadecane.
What is the SMILES notation for 1-(trifluoromethoxy)hexadecane?
The canonical SMILES for 1-(trifluoromethoxy)hexadecane is CCCCCCCCCCCCCCCCOC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)hexadecane?
The InChIKey is KVIAHCCRIBEUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h2-16H2,1H3.
What are the key properties of 1-(trifluoromethoxy)hexadecane?
1-(trifluoromethoxy)hexadecane has a molecular weight of 310.44 g/mol, XLogP of 7.00, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)hexadecane is sourced from PubChem (CID 10924964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).