3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol

C6H11F3O2S — CID 106705407

IUPAC3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol
SMILESOCCCSCOCC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c7-6(8,9)4-11-5-12-3-1-2-10/h10H,1-5H2
InChIKeyQCODVWYJEZDACX-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.64
Rot. Bonds6

About 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol

3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol (PubChem CID 106705407) has the molecular formula C6H11F3O2S and a molecular weight of 204.21 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol
PubChem CID106705407
Molecular FormulaC6H11F3O2S
Molecular Weight204.21 g/mol
Exact Mass204.04
IUPAC Name3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol
SMILESOCCCSCOCC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c7-6(8,9)4-11-5-12-3-1-2-10/h10H,1-5H2
InChIKeyQCODVWYJEZDACX-UHFFFAOYSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-((Trifluoromethyl)thio)-1-propanol
CID 18620450
2,2-Difluoro-3-(methylsulfanyl)propan-1-ol
CID 163592080
4-(Trifluoromethylthio)butan-1-ol
CID 17930175
1,1,1-Trifluoro-4-(methylsulfanyl)butan-2-ol
CID 61644737
4,4,4-Trifluoro-3-methylthio-1-butanol
CID 87203165
5-(Trifluoromethylsulfanyl)pentan-1-ol
CID 116627276
2,3-Bis[[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanyl]propan-1-ol
CID 139484088
2-(Fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol
CID 153429860
2-[3-(2,2,2-Trifluoroethoxy)propylsulfanyl]ethanol
CID 61490949
1,1,1-Trifluoro-3-(2-methoxyethylsulfanyl)propan-2-ol
CID 63899410
1,1,1-Trifluoro-3-[(2-hydroxyethyl)sulfanyl]propan-2-ol
CID 63899414
1,1,1-Trifluoro-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 63900854

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol?
The IUPAC name of 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol (CID 106705407) is 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol is OCCCSCOCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol?
The InChIKey is QCODVWYJEZDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2S/c7-6(8,9)4-11-5-12-3-1-2-10/h10H,1-5H2.
What are the key properties of 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol?
3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol has a molecular weight of 204.21 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol is sourced from PubChem (CID 106705407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).