1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol

C11H21F3O2Si — CID 175482937

IUPAC1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol
SMILESCCCC(O)[Si]1(CC(F)C(F)F)CCCCO1
InChIInChI=1S/C11H21F3O2Si/c1-2-5-10(15)17(7-4-3-6-16-17)8-9(12)11(13)14/h9-11,15H,2-8H2,1H3
InChIKeyRSTXFVPNGFRGMT-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.05
Rot. Bonds6

About 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol

1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol (PubChem CID 175482937) has the molecular formula C11H21F3O2Si and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol
PubChem CID175482937
Molecular FormulaC11H21F3O2Si
Molecular Weight270.37 g/mol
Exact Mass270.13
IUPAC Name1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol
SMILESCCCC(O)[Si]1(CC(F)C(F)F)CCCCO1
InChIInChI=1S/C11H21F3O2Si/c1-2-5-10(15)17(7-4-3-6-16-17)8-9(12)11(13)14/h9-11,15H,2-8H2,1H3
InChIKeyRSTXFVPNGFRGMT-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;2,2-dimethyloxasilinane
CID 175060345
2-ethyl-2-hydroxyoxasilinane
CID 21251751
1-chloro-1-pentan-2-ylsilinane
CID 57057772
3-fluorohexane-1,2-diol
CID 14685331
2-ethyl-2-propyloxasilinane
CID 174644479
methane;2-methyl-2-propyloxasilinane
CID 159999289
2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine
CID 173231233
(2S,3S)-2,3-difluorohexan-1-ol
CID 57045572
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
2-methyl-2-propoxyoxasilinane
CID 70135100
cyclohexane;pentan-2-ol
CID 67677243
(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate
CID 70421368

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol?
The IUPAC name of 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol (CID 175482937) is 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol.
What is the SMILES notation for 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol?
The canonical SMILES for 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol is CCCC(O)[Si]1(CC(F)C(F)F)CCCCO1.
What is the InChIKey of 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol?
The InChIKey is RSTXFVPNGFRGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2Si/c1-2-5-10(15)17(7-4-3-6-16-17)8-9(12)11(13)14/h9-11,15H,2-8H2,1H3.
What are the key properties of 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol?
1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,3-trifluoropropyl)oxasilinan-2-yl]butan-1-ol is sourced from PubChem (CID 175482937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).