4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride

C7H18ClF2NOSi — CID 115872273

IUPAC4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride
SMILESCC(N)C(O[Si](C)(C)C)C(F)F.Cl
InChIInChI=1S/C7H17F2NOSi.ClH/c1-5(10)6(7(8)9)11-12(2,3)4;/h5-7H,10H2,1-4H3;1H
InChIKeyPXIZVCZPYUJFQO-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.24
Rot. Bonds4

About 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride

4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride (PubChem CID 115872273) has the molecular formula C7H18ClF2NOSi and a molecular weight of 233.76 g/mol. Its IUPAC name is 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride
PubChem CID115872273
Molecular FormulaC7H18ClF2NOSi
Molecular Weight233.76 g/mol
Exact Mass233.08
IUPAC Name4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride
SMILESCC(N)C(O[Si](C)(C)C)C(F)F.Cl
InChIInChI=1S/C7H17F2NOSi.ClH/c1-5(10)6(7(8)9)11-12(2,3)4;/h5-7H,10H2,1-4H3;1H
InChIKeyPXIZVCZPYUJFQO-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride?
The IUPAC name of 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride (CID 115872273) is 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride?
The canonical SMILES for 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride is CC(N)C(O[Si](C)(C)C)C(F)F.Cl.
What is the InChIKey of 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride?
The InChIKey is PXIZVCZPYUJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17F2NOSi.ClH/c1-5(10)6(7(8)9)11-12(2,3)4;/h5-7H,10H2,1-4H3;1H.
What are the key properties of 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride?
4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride has a molecular weight of 233.76 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-trimethylsilyloxybutan-2-amine;hydrochloride is sourced from PubChem (CID 115872273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).