1-(trifluoromethoxy)pentadecane

C16H31F3O — CID 59121955

IUPAC1-(trifluoromethoxy)pentadecane
SMILESCCCCCCCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C16H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16(17,18)19/h2-15H2,1H3
InChIKeyGCRCJXLUNKGBGW-UHFFFAOYSA-N
MW296.42 g/mol
LogP6.61
Rot. Bonds14

About 1-(trifluoromethoxy)pentadecane

1-(trifluoromethoxy)pentadecane (PubChem CID 59121955) has the molecular formula C16H31F3O and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(trifluoromethoxy)pentadecane.

Molecular Properties

Compound Name1-(trifluoromethoxy)pentadecane
PubChem CID59121955
Molecular FormulaC16H31F3O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name1-(trifluoromethoxy)pentadecane
SMILESCCCCCCCCCCCCCCCOC(F)(F)F
InChIInChI=1S/C16H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16(17,18)19/h2-15H2,1H3
InChIKeyGCRCJXLUNKGBGW-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.42
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(trifluoromethoxy)pentadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
BIS(1,1,2,2-tetrahydroperfluorooctyl) ether
CID 11828643
(Trifluoromethyl)decyl ether
CID 11031559
1-Fluoro-9-methoxynonane
CID 12120925
1,1-Difluoro-2-dodecyloxyethene
CID 121408638
1-(Difluoromethoxy)decane
CID 14400535
8-Ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 19598606
1,1-Difluoro-1-methoxyoctane
CID 11332828
1-(2,2,2-Trifluoroethoxy)docosane
CID 86009221
1-(Trifluoromethoxy)dodecane
CID 101034469

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)pentadecane?
The IUPAC name of 1-(trifluoromethoxy)pentadecane (CID 59121955) is 1-(trifluoromethoxy)pentadecane.
What is the SMILES notation for 1-(trifluoromethoxy)pentadecane?
The canonical SMILES for 1-(trifluoromethoxy)pentadecane is CCCCCCCCCCCCCCCOC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)pentadecane?
The InChIKey is GCRCJXLUNKGBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16(17,18)19/h2-15H2,1H3.
What are the key properties of 1-(trifluoromethoxy)pentadecane?
1-(trifluoromethoxy)pentadecane has a molecular weight of 296.42 g/mol, XLogP of 6.61, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)pentadecane is sourced from PubChem (CID 59121955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).