[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane

C8H17F2NSi — CID 174073343

IUPAC[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane
SMILESCC(C)N1CC([SiH3])[C@H](F)[C@@H](F)C1
InChIInChI=1S/C8H17F2NSi/c1-5(2)11-3-6(9)8(10)7(12)4-11/h5-8H,3-4H2,1-2,12H3/t6-,7?,8+/m0/s1
InChIKeyCBWMXOWXPAJFTH-YPVSKDHRSA-N
MW193.31 g/mol
LogP0.54
Rot. Bonds1

About [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane

[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane (PubChem CID 174073343) has the molecular formula C8H17F2NSi and a molecular weight of 193.31 g/mol. Its IUPAC name is [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane.

Molecular Properties

Compound Name[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane
PubChem CID174073343
Molecular FormulaC8H17F2NSi
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane
SMILESCC(C)N1CC([SiH3])[C@H](F)[C@@H](F)C1
InChIInChI=1S/C8H17F2NSi/c1-5(2)11-3-6(9)8(10)7(12)4-11/h5-8H,3-4H2,1-2,12H3/t6-,7?,8+/m0/s1
InChIKeyCBWMXOWXPAJFTH-YPVSKDHRSA-N
XLogP0.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane?
The IUPAC name of [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane (CID 174073343) is [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane.
What is the SMILES notation for [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane?
The canonical SMILES for [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane is CC(C)N1CC([SiH3])[C@H](F)[C@@H](F)C1.
What is the InChIKey of [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane?
The InChIKey is CBWMXOWXPAJFTH-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H17F2NSi/c1-5(2)11-3-6(9)8(10)7(12)4-11/h5-8H,3-4H2,1-2,12H3/t6-,7?,8+/m0/s1.
What are the key properties of [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane?
[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane has a molecular weight of 193.31 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane is sourced from PubChem (CID 174073343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).