3-propan-2-yloxypropyl thiohypofluorite

C6H13FOS — CID 146245926

IUPAC3-propan-2-yloxypropyl thiohypofluorite
SMILESCC(C)OCCCSF
InChIInChI=1S/C6H13FOS/c1-6(2)8-4-3-5-9-7/h6H,3-5H2,1-2H3
InChIKeyKATDLVHSULJDCM-UHFFFAOYSA-N
MW152.23 g/mol
LogP2.42
Rot. Bonds5

About 3-propan-2-yloxypropyl thiohypofluorite

3-propan-2-yloxypropyl thiohypofluorite (PubChem CID 146245926) has the molecular formula C6H13FOS and a molecular weight of 152.23 g/mol. Its IUPAC name is 3-propan-2-yloxypropyl thiohypofluorite.

Molecular Properties

Compound Name3-propan-2-yloxypropyl thiohypofluorite
PubChem CID146245926
Molecular FormulaC6H13FOS
Molecular Weight152.23 g/mol
Exact Mass152.07
IUPAC Name3-propan-2-yloxypropyl thiohypofluorite
SMILESCC(C)OCCCSF
InChIInChI=1S/C6H13FOS/c1-6(2)8-4-3-5-9-7/h6H,3-5H2,1-2H3
InChIKeyKATDLVHSULJDCM-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.23
LogP ≤ 52.42
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

1,6-di(propan-2-yloxy)hexane
CID 10899702
1-propan-2-yloxybutane;zirconium
CID 174617524
2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane
CID 155415621
methane;1-propan-2-yloxybutane
CID 158518476
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
1,1,1,2,2-pentadeuterio-16-(3-propan-2-yloxypropylsulfanyl)hexadecane
CID 170689103
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
2-amino-4-(3-fluorosulfanylpropoxy)pentanedioic acid
CID 143663946
dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane
CID 170689056
1-methylsulfinyl-3-propan-2-yloxypropane
CID 162770564
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1,1,1-trifluoro-17-(2-propan-2-yloxyethylsulfanyl)heptadecane
CID 170688924

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypropyl thiohypofluorite?
The IUPAC name of 3-propan-2-yloxypropyl thiohypofluorite (CID 146245926) is 3-propan-2-yloxypropyl thiohypofluorite.
What is the SMILES notation for 3-propan-2-yloxypropyl thiohypofluorite?
The canonical SMILES for 3-propan-2-yloxypropyl thiohypofluorite is CC(C)OCCCSF.
What is the InChIKey of 3-propan-2-yloxypropyl thiohypofluorite?
The InChIKey is KATDLVHSULJDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FOS/c1-6(2)8-4-3-5-9-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yloxypropyl thiohypofluorite?
3-propan-2-yloxypropyl thiohypofluorite has a molecular weight of 152.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypropyl thiohypofluorite is sourced from PubChem (CID 146245926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).