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

C18H28F6O — CID 90164989

IUPAC(2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
SMILESCC(/C=C/CCCCCCCCCC(C(F)(F)F)C(F)(F)F)=C\CO
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/b11-9+,15-13+
InChIKeyGEFHPMQOICUUOS-PXELCPQFSA-N
MW374.41 g/mol
LogP6.73
Rot. Bonds12

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

(2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol (PubChem CID 90164989) has the molecular formula C18H28F6O and a molecular weight of 374.41 g/mol. Its IUPAC name is (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
PubChem CID90164989
Molecular FormulaC18H28F6O
Molecular Weight374.41 g/mol
Exact Mass374.20
IUPAC Name(2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
SMILESCC(/C=C/CCCCCCCCCC(C(F)(F)F)C(F)(F)F)=C\CO
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/b11-9+,15-13+
InChIKeyGEFHPMQOICUUOS-PXELCPQFSA-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 (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol with MolForge

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Related Compounds

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CID 44256517
4,4-Difluororetinol
CID 6439882
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CID 54040891
(3E,5E,7E)-1,1,1-trifluoro-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ol
CID 134980122
(2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol
CID 162418460
2,6,8,12-Tetramethyltrideca-2,4-dien-1-ol
CID 74976816
(2E,4E,6E,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
CID 5366072
(2E,4E,6E,8E)-7-methyl-3-(trifluoromethyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 164187932
(E)-5-[4-(difluoromethyl)cyclohexen-1-yl]-2-methylhept-2-en-1-ol
CID 68199881
1,2-Difluoro-4-methyl-5-(2-methylpropyl)-3-pent-4-en-2-ylocta-2,4,7-trien-1-ol
CID 91176647
16,16,16-Trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol
CID 123715291
(3E,5E)-10,10,10-trifluoro-8-methyl-6-(3-methylbutyl)deca-1,3,5-trien-3-ol
CID 132002216

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol (CID 90164989) is (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol is CC(/C=C/CCCCCCCCCC(C(F)(F)F)C(F)(F)F)=C\CO.
What is the InChIKey of (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol?
The InChIKey is GEFHPMQOICUUOS-PXELCPQFSA-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/b11-9+,15-13+.
What are the key properties of (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol?
(2E,4E)-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 (2E,4E)-16,16,16-trifluoro-3-methyl-15-(trifluoromethyl)hexadeca-2,4-dien-1-ol is sourced from PubChem (CID 90164989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).