2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol

C14H18F3NO3S — CID 178008453

IUPAC2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
SMILESCCCC1OCC(Sc2cccc(C(F)(F)F)n2)C(O)C1O
InChIInChI=1S/C14H18F3NO3S/c1-2-4-8-12(19)13(20)9(7-21-8)22-11-6-3-5-10(18-11)14(15,16)17/h3,5-6,8-9,12-13,19-20H,2,4,7H2,1H3
InChIKeyMTMLNKGJXAHELY-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.48
Rot. Bonds4

About 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol

2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol (PubChem CID 178008453) has the molecular formula C14H18F3NO3S and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol.

Molecular Properties

Compound Name2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
PubChem CID178008453
Molecular FormulaC14H18F3NO3S
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC Name2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
SMILESCCCC1OCC(Sc2cccc(C(F)(F)F)n2)C(O)C1O
InChIInChI=1S/C14H18F3NO3S/c1-2-4-8-12(19)13(20)9(7-21-8)22-11-6-3-5-10(18-11)14(15,16)17/h3,5-6,8-9,12-13,19-20H,2,4,7H2,1H3
InChIKeyMTMLNKGJXAHELY-UHFFFAOYSA-N
XLogP2.48
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol with MolForge

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Related Compounds

2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyridine
CID 171556780
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
CID 171557209
Ethane;4-ethoxy-1-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptane-2,3-diol
CID 171557423
lithium 2-[(1S)-1-[(4S,5S)-5-methanidyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]sulfanyl-6-(trifluoromethyl)pyridine
CID 171558188
(2R,3R,4S,5S)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
CID 171558503
2-(Hydroxymethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite
CID 171558660
CID 171558815
CID 171558815
2-(Hydroxymethyl)oxane-3,4-diol;2-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 171558825
Ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite
CID 178007705
Ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol
CID 178007843
2-Methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol
CID 178008583
2-[[6-(Trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
CID 61779540

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol?
The IUPAC name of 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol (CID 178008453) is 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol.
What is the SMILES notation for 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol?
The canonical SMILES for 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol is CCCC1OCC(Sc2cccc(C(F)(F)F)n2)C(O)C1O.
What is the InChIKey of 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol?
The InChIKey is MTMLNKGJXAHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3S/c1-2-4-8-12(19)13(20)9(7-21-8)22-11-6-3-5-10(18-11)14(15,16)17/h3,5-6,8-9,12-13,19-20H,2,4,7H2,1H3.
What are the key properties of 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol?
2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol has a molecular weight of 337.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol is sourced from PubChem (CID 178008453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).