2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine

C12H16F3NOS — CID 166443309

IUPAC2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine
SMILESFC(F)(F)SCCCCCOCc1ccccn1
InChIInChI=1S/C12H16F3NOS/c13-12(14,15)18-9-5-1-4-8-17-10-11-6-2-3-7-16-11/h2-3,6-7H,1,4-5,8-10H2
InChIKeyBXEXDAZCQKBNCX-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.02
Rot. Bonds8

About 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine

2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine (PubChem CID 166443309) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine.

Molecular Properties

Compound Name2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine
PubChem CID166443309
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine
SMILESFC(F)(F)SCCCCCOCc1ccccn1
InChIInChI=1S/C12H16F3NOS/c13-12(14,15)18-9-5-1-4-8-17-10-11-6-2-3-7-16-11/h2-3,6-7H,1,4-5,8-10H2
InChIKeyBXEXDAZCQKBNCX-UHFFFAOYSA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Pyridine, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
CID 3724387
Ethyl pyridine-2-carboximidate
CID 12263944
N-Methyl-2-(pyrid-2-yl)-1,3-oxathiane-2-carbothioamide
CID 13043967
(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 6711319
2-((Octadecyloxy)methyl)pyridine
CID 57025655
(S)-4-(tert-Butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole
CID 71712916
4-(tert-Butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole
CID 78155655
2-(4,5-Dihydro-2-oxazolyl)-5-(trifluoromethyl)pyridine
CID 142590989

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine?
The IUPAC name of 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine (CID 166443309) is 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine.
What is the SMILES notation for 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine?
The canonical SMILES for 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine is FC(F)(F)SCCCCCOCc1ccccn1.
What is the InChIKey of 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine?
The InChIKey is BXEXDAZCQKBNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c13-12(14,15)18-9-5-1-4-8-17-10-11-6-2-3-7-16-11/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine?
2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine has a molecular weight of 279.33 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethylsulfanyl)pentoxymethyl]pyridine is sourced from PubChem (CID 166443309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).