2-(1,1,2-trifluoropentan-3-yl)oxasilinane

C9H17F3OSi — CID 175589456

IUPAC2-(1,1,2-trifluoropentan-3-yl)oxasilinane
SMILESCCC(C(F)C(F)F)[SiH]1CCCCO1
InChIInChI=1S/C9H17F3OSi/c1-2-7(8(10)9(11)12)14-6-4-3-5-13-14/h7-9,14H,2-6H2,1H3
InChIKeyINERHQMMBIZKOP-UHFFFAOYSA-N
MW226.31 g/mol
LogP2.90
Rot. Bonds4

About 2-(1,1,2-trifluoropentan-3-yl)oxasilinane

2-(1,1,2-trifluoropentan-3-yl)oxasilinane (PubChem CID 175589456) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is 2-(1,1,2-trifluoropentan-3-yl)oxasilinane.

Molecular Properties

Compound Name2-(1,1,2-trifluoropentan-3-yl)oxasilinane
PubChem CID175589456
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name2-(1,1,2-trifluoropentan-3-yl)oxasilinane
SMILESCCC(C(F)C(F)F)[SiH]1CCCCO1
InChIInChI=1S/C9H17F3OSi/c1-2-7(8(10)9(11)12)14-6-4-3-5-13-14/h7-9,14H,2-6H2,1H3
InChIKeyINERHQMMBIZKOP-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4,4-trifluorobutan-2-yl)oxasilinane
CID 173009517
1-(oxasilinan-2-yl)propan-1-amine
CID 173013581
2-(2-methylpent-1-en-3-yl)oxasilinane
CID 173388284
2-(1-chloropropyl)oxasilinane;2-methyloxasilinane
CID 174108121
2-(3-methylbutan-2-yl)oxasilinane
CID 173453680
2-(1-fluoroprop-2-enyl)oxasilinane
CID 173079753
2-hydroxyoxasilinane;1,1,2-trifluoropropane
CID 175004232
1-(oxasilinan-2-yl)ethane-1,2-diol
CID 173483101
2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine
CID 173231233
2-(oxasilinan-2-yl)propanenitrile
CID 173073670
4-(oxasilinan-2-yl)pentanenitrile
CID 175149577
2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane
CID 173308842

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trifluoropentan-3-yl)oxasilinane?
The IUPAC name of 2-(1,1,2-trifluoropentan-3-yl)oxasilinane (CID 175589456) is 2-(1,1,2-trifluoropentan-3-yl)oxasilinane.
What is the SMILES notation for 2-(1,1,2-trifluoropentan-3-yl)oxasilinane?
The canonical SMILES for 2-(1,1,2-trifluoropentan-3-yl)oxasilinane is CCC(C(F)C(F)F)[SiH]1CCCCO1.
What is the InChIKey of 2-(1,1,2-trifluoropentan-3-yl)oxasilinane?
The InChIKey is INERHQMMBIZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c1-2-7(8(10)9(11)12)14-6-4-3-5-13-14/h7-9,14H,2-6H2,1H3.
What are the key properties of 2-(1,1,2-trifluoropentan-3-yl)oxasilinane?
2-(1,1,2-trifluoropentan-3-yl)oxasilinane has a molecular weight of 226.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trifluoropentan-3-yl)oxasilinane is sourced from PubChem (CID 175589456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).