2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol

C18H31F3O2 — CID 162744230

IUPAC2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol
SMILESOCCOCCCCCCCCCCCCCC#CC(F)(F)F
InChIInChI=1S/C18H31F3O2/c19-18(20,21)14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-23-17-15-22/h22H,1-11,13,15-17H2
InChIKeyGWEWANWRUJXRPD-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.24
Rot. Bonds15

About 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol

2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol (PubChem CID 162744230) has the molecular formula C18H31F3O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol.

Molecular Properties

Compound Name2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol
PubChem CID162744230
Molecular FormulaC18H31F3O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol
SMILESOCCOCCCCCCCCCCCCCC#CC(F)(F)F
InChIInChI=1S/C18H31F3O2/c19-18(20,21)14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-23-17-15-22/h22H,1-11,13,15-17H2
InChIKeyGWEWANWRUJXRPD-UHFFFAOYSA-N
XLogP5.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-7-methoxyhept-2-yne
CID 91415513
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
2-(14-cyclopentyltetradec-13-ynoxy)ethanol
CID 162744238
2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol
CID 58901210
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
CID 162536878
2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol
CID 14877798
2-heptoxyethanol
CID 23889
2-(6-sulfanylhexoxy)ethanol
CID 88540112

Frequently Asked Questions

What is the IUPAC name of 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol?
The IUPAC name of 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol (CID 162744230) is 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol.
What is the SMILES notation for 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol?
The canonical SMILES for 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol is OCCOCCCCCCCCCCCCCC#CC(F)(F)F.
What is the InChIKey of 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol?
The InChIKey is GWEWANWRUJXRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F3O2/c19-18(20,21)14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-23-17-15-22/h22H,1-11,13,15-17H2.
What are the key properties of 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol?
2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol has a molecular weight of 336.44 g/mol, XLogP of 5.24, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol is sourced from PubChem (CID 162744230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).