[3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol

C13H18F3NO4S — CID 139756470

IUPAC[3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol
SMILESCOc1c(SCCOCCOCC(F)(F)F)ccnc1CO
InChIInChI=1S/C13H18F3NO4S/c1-19-12-10(8-18)17-3-2-11(12)22-7-6-20-4-5-21-9-13(14,15)16/h2-3,18H,4-9H2,1H3
InChIKeyFORZUEBSFKTJGK-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.27
Rot. Bonds10

About [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol

[3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol (PubChem CID 139756470) has the molecular formula C13H18F3NO4S and a molecular weight of 341.35 g/mol. Its IUPAC name is [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol
PubChem CID139756470
Molecular FormulaC13H18F3NO4S
Molecular Weight341.35 g/mol
Exact Mass341.09
IUPAC Name[3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol
SMILESCOc1c(SCCOCCOCC(F)(F)F)ccnc1CO
InChIInChI=1S/C13H18F3NO4S/c1-19-12-10(8-18)17-3-2-11(12)22-7-6-20-4-5-21-9-13(14,15)16/h2-3,18H,4-9H2,1H3
InChIKeyFORZUEBSFKTJGK-UHFFFAOYSA-N
XLogP2.27
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-Ethylsulfanylethoxy)-2-pyridinyl]methanol
CID 75448192
(2R,3R,4S,5S)-2-[6-(trifluoromethyl)pyridin-3-yl]oxythiane-3,4,5-triol
CID 11209122
2-Pyridinemethanol, 3-methoxy-4-(2,2,2-trifluoroethoxy)-
CID 14402961
(2S,3R,4S,5S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]thiane-3,4,5-triol
CID 67233394
1-[3-(Difluoromethoxy)-5-methylsulfonyl-2-pyridinyl]ethanol
CID 123526846
5-(Difluoromethoxy)-4-methylsulfanyl-2-propan-2-ylpyridine
CID 138700757
[4-[2-[2-(2,2,2-Trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol
CID 139756427
3-Methoxy-2-methyl-1-oxido-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]pyridin-1-ium
CID 139756505
2-[[3-(Difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine
CID 141159713
2-[[4-(Difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfanylmethyl]-3,4-dimethoxypyridine
CID 141193810
4-Ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine
CID 141338922
Ethyl-imino-[3-methoxy-2-(trifluoromethyl)pyridin-4-yl]-lambda4-sulfane
CID 152190438

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol?
The IUPAC name of [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol (CID 139756470) is [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol?
The canonical SMILES for [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol is COc1c(SCCOCCOCC(F)(F)F)ccnc1CO.
What is the InChIKey of [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol?
The InChIKey is FORZUEBSFKTJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO4S/c1-19-12-10(8-18)17-3-2-11(12)22-7-6-20-4-5-21-9-13(14,15)16/h2-3,18H,4-9H2,1H3.
What are the key properties of [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol?
[3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol has a molecular weight of 341.35 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol is sourced from PubChem (CID 139756470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).