16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol

C18H28F6O — CID 123715291

IUPAC16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
SMILESCC(C=CCCCCCCCCCC(C(F)(F)F)C(F)(F)F)=CCO
InChIInChI=1S/C18H28F6O/c1-15(13-14-25)11-9-7-5-3-2-4-6-8-10-12-16(17(19,20)21)18(22,23)24/h9,11,13,16,25H,2-8,10,12,14H2,1H3
InChIKeyGEFHPMQOICUUOS-UHFFFAOYSA-N
MW374.41 g/mol
LogP6.73
Rot. Bonds12

About 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol

16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol (PubChem CID 123715291) has the molecular formula C18H28F6O and a molecular weight of 374.41 g/mol. Its IUPAC name is 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol.

Molecular Properties

Compound Name16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
PubChem CID123715291
Molecular FormulaC18H28F6O
Molecular Weight374.41 g/mol
Exact Mass374.20
IUPAC Name16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
SMILESCC(C=CCCCCCCCCCC(C(F)(F)F)C(F)(F)F)=CCO
InChIInChI=1S/C18H28F6O/c1-15(13-14-25)11-9-7-5-3-2-4-6-8-10-12-16(17(19,20)21)18(22,23)24/h9,11,13,16,25H,2-8,10,12,14H2,1H3
InChIKeyGEFHPMQOICUUOS-UHFFFAOYSA-N
XLogP6.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol?
The IUPAC name of 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol (CID 123715291) is 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol.
What is the SMILES notation for 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol?
The canonical SMILES for 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol is CC(C=CCCCCCCCCCC(C(F)(F)F)C(F)(F)F)=CCO.
What is the InChIKey of 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol?
The InChIKey is GEFHPMQOICUUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O/c1-15(13-14-25)11-9-7-5-3-2-4-6-8-10-12-16(17(19,20)21)18(22,23)24/h9,11,13,16,25H,2-8,10,12,14H2,1H3.
What are the key properties of 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol?
16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol has a molecular weight of 374.41 g/mol, XLogP of 6.73, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol is sourced from PubChem (CID 123715291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).