3-(4,4,4-trifluorobutyl)dioxasilirane

C4H7F3O2Si — CID 174543604

IUPAC3-(4,4,4-trifluorobutyl)dioxasilirane
SMILESFC(F)(F)CCC[SiH]1OO1
InChIInChI=1S/C4H7F3O2Si/c5-4(6,7)2-1-3-10-8-9-10/h10H,1-3H2
InChIKeySOMWRIPPMOBNTI-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.51
Rot. Bonds3

About 3-(4,4,4-trifluorobutyl)dioxasilirane

3-(4,4,4-trifluorobutyl)dioxasilirane (PubChem CID 174543604) has the molecular formula C4H7F3O2Si and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutyl)dioxasilirane.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutyl)dioxasilirane
PubChem CID174543604
Molecular FormulaC4H7F3O2Si
Molecular Weight172.18 g/mol
Exact Mass172.02
IUPAC Name3-(4,4,4-trifluorobutyl)dioxasilirane
SMILESFC(F)(F)CCC[SiH]1OO1
InChIInChI=1S/C4H7F3O2Si/c5-4(6,7)2-1-3-10-8-9-10/h10H,1-3H2
InChIKeySOMWRIPPMOBNTI-UHFFFAOYSA-N
XLogP1.51
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2,4-tris(4,4,4-trifluorobutyl)-1,3,5,2,4,6-trioxatrisilinane
CID 123536988
2-(4,4,4-trifluorobutyl)-1,3-diazanida-2-silacyclopentane;bis(yttrium)
CID 58632353
4,4,4-trifluorobutan-1-olate
CID 18451617
1,1,6,6,6-pentafluorohexan-1-ol
CID 143019426
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
iron(3+);1,1,1-trifluoropentane
CID 161198772
1,1,1,10-tetrafluorodecane
CID 150433562
hydroxy-dimethyl-(4,4,4-trifluorobutyl)silane
CID 140692013
16,16,16-trifluorohexadec-1-yne
CID 102581586
6-chloro-1,1,1-trifluorohexane
CID 54556371
1,1,1-trifluoropentane;zinc;hydroiodide
CID 89499230
5-bromo-1,1,1-trifluoropentane chloride
CID 158477486

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutyl)dioxasilirane?
The IUPAC name of 3-(4,4,4-trifluorobutyl)dioxasilirane (CID 174543604) is 3-(4,4,4-trifluorobutyl)dioxasilirane.
What is the SMILES notation for 3-(4,4,4-trifluorobutyl)dioxasilirane?
The canonical SMILES for 3-(4,4,4-trifluorobutyl)dioxasilirane is FC(F)(F)CCC[SiH]1OO1.
What is the InChIKey of 3-(4,4,4-trifluorobutyl)dioxasilirane?
The InChIKey is SOMWRIPPMOBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O2Si/c5-4(6,7)2-1-3-10-8-9-10/h10H,1-3H2.
What are the key properties of 3-(4,4,4-trifluorobutyl)dioxasilirane?
3-(4,4,4-trifluorobutyl)dioxasilirane has a molecular weight of 172.18 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutyl)dioxasilirane is sourced from PubChem (CID 174543604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).