5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol

C12H17F3O2S — CID 167024336

IUPAC5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol
SMILESOCCCCCOCCc1csc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3O2S/c13-12(14,15)11-8-10(9-18-11)4-7-17-6-3-1-2-5-16/h8-9,16H,1-7H2
InChIKeyMKLDGPJXCNNIPE-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.49
Rot. Bonds8

About 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol

5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol (PubChem CID 167024336) has the molecular formula C12H17F3O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol
PubChem CID167024336
Molecular FormulaC12H17F3O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol
SMILESOCCCCCOCCc1csc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3O2S/c13-12(14,15)11-8-10(9-18-11)4-7-17-6-3-1-2-5-16/h8-9,16H,1-7H2
InChIKeyMKLDGPJXCNNIPE-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol
CID 67252065
9-(4,4,4-trifluorobutoxy)nonan-1-ol
CID 22407961
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
6-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]hexan-1-ol
CID 139572770
1,1,2,2-tetrafluoro-2-[4-[2-(4-hydroxybutoxy)ethyl]phenoxy]sulfonylethanesulfonate
CID 58364018
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
CID 162744639
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol?
The IUPAC name of 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol (CID 167024336) is 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol?
The canonical SMILES for 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol is OCCCCCOCCc1csc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol?
The InChIKey is MKLDGPJXCNNIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O2S/c13-12(14,15)11-8-10(9-18-11)4-7-17-6-3-1-2-5-16/h8-9,16H,1-7H2.
What are the key properties of 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol?
5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol has a molecular weight of 282.33 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol is sourced from PubChem (CID 167024336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).