tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane

C10H21F3O2Si — CID 22020734

IUPACtert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane
SMILESCO[Si](OC)(C(C)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H21F3O2Si/c1-8(7-10(11,12)13)16(14-5,15-6)9(2,3)4/h8H,7H2,1-6H3
InChIKeyIDQYZGFSQQEKAH-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.86
Rot. Bonds4

About tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane

tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane (PubChem CID 22020734) has the molecular formula C10H21F3O2Si and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane.

Molecular Properties

Compound Nametert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane
PubChem CID22020734
Molecular FormulaC10H21F3O2Si
Molecular Weight258.36 g/mol
Exact Mass258.13
IUPAC Nametert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane
SMILESCO[Si](OC)(C(C)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H21F3O2Si/c1-8(7-10(11,12)13)16(14-5,15-6)9(2,3)4/h8H,7H2,1-6H3
InChIKeyIDQYZGFSQQEKAH-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine
CID 103779068
dimethoxy(4,4,4-trifluorobutan-2-yl)silane
CID 123462688
(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
CID 146228126
1,1,1,3-tetrafluoro-3-methoxypropane
CID 141176664
di(propan-2-yloxy)-(4,4,4-trifluorobutan-2-yl)silane
CID 173041525
4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine
CID 103780265
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
3-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
CID 115922978
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane?
The IUPAC name of tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane (CID 22020734) is tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane.
What is the SMILES notation for tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane?
The canonical SMILES for tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane is CO[Si](OC)(C(C)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane?
The InChIKey is IDQYZGFSQQEKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3O2Si/c1-8(7-10(11,12)13)16(14-5,15-6)9(2,3)4/h8H,7H2,1-6H3.
What are the key properties of tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane?
tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane has a molecular weight of 258.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethoxy-(4,4,4-trifluorobutan-2-yl)silane is sourced from PubChem (CID 22020734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).