1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane

C6H11F3OS — CID 104863836

IUPAC1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane
SMILESCSCCOCCC(F)(F)F
InChIInChI=1S/C6H11F3OS/c1-11-5-4-10-3-2-6(7,8)9/h2-5H2,1H3
InChIKeyUWLIKIVKYRUICB-UHFFFAOYSA-N
MW188.21 g/mol
LogP2.32
Rot. Bonds5

About 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane

1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane (PubChem CID 104863836) has the molecular formula C6H11F3OS and a molecular weight of 188.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane
PubChem CID104863836
Molecular FormulaC6H11F3OS
Molecular Weight188.21 g/mol
Exact Mass188.05
IUPAC Name1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane
SMILESCSCCOCCC(F)(F)F
InChIInChI=1S/C6H11F3OS/c1-11-5-4-10-3-2-6(7,8)9/h2-5H2,1H3
InChIKeyUWLIKIVKYRUICB-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dehydroxy-TFHFESE
CID 163201608
1-(2-Ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 163198787
1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane
CID 163198789
2-[(3,3,2,2-Tetrafluoropropoxy)methyl]thiirane
CID 59817081
2-[(2,2,2-Trifluoroethoxy)methyl]thiirane
CID 129746022
2-(3,3,3-Trifluoropropoxy)ethanethiol
CID 82957544
1-Methoxy-2-(trifluoromethylsulfanyl)ethane
CID 118075048
1-(Difluoromethoxy)-2-methylsulfanylethane
CID 122581351
(Difluoromethyl)(2-methoxyethyl)sulfane
CID 122581357
1-(Fluoromethylsulfanyl)-2-methoxyethane
CID 122581360
1-Methylsulfanyl-2-(trifluoromethoxy)ethane
CID 122581361
1-(Fluoromethoxy)-2-methylsulfanylethane
CID 122581364

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane?
The IUPAC name of 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane (CID 104863836) is 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane?
The canonical SMILES for 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane is CSCCOCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane?
The InChIKey is UWLIKIVKYRUICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3OS/c1-11-5-4-10-3-2-6(7,8)9/h2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane?
1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane has a molecular weight of 188.21 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-methylsulfanylethoxy)propane is sourced from PubChem (CID 104863836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).