3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane

C13H23F5N2Si — CID 140503768

IUPAC3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane
SMILESFC(F)(F)C(F)(F)CC[SiH](N1CCCCC1)N1CCCC1
InChIInChI=1S/C13H23F5N2Si/c14-12(15,13(16,17)18)6-11-21(20-9-4-5-10-20)19-7-2-1-3-8-19/h21H,1-11H2
InChIKeyPGSMEDOFNXCSLQ-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.38
Rot. Bonds5

About 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane

3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane (PubChem CID 140503768) has the molecular formula C13H23F5N2Si and a molecular weight of 330.42 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane.

Molecular Properties

Compound Name3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane
PubChem CID140503768
Molecular FormulaC13H23F5N2Si
Molecular Weight330.42 g/mol
Exact Mass330.16
IUPAC Name3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane
SMILESFC(F)(F)C(F)(F)CC[SiH](N1CCCCC1)N1CCCC1
InChIInChI=1S/C13H23F5N2Si/c14-12(15,13(16,17)18)6-11-21(20-9-4-5-10-20)19-7-2-1-3-8-19/h21H,1-11H2
InChIKeyPGSMEDOFNXCSLQ-UHFFFAOYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
dimethyl(3,3,4,4,4-pentafluorobutyl)silane
CID 172840662
1,1,1,2,2,5,5,5-octafluoropentane
CID 22457046
dimethoxy(3,3,4,4,4-pentafluorobutyl)silane
CID 173012139
dichloro(4,4,5,5,5-pentafluoropentyl)silane
CID 173354849
2,2-difluoro-4-piperidin-1-ylbutan-1-amine
CID 69130450
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecan-1-ol
CID 87061527
tripyrrolidin-1-ylsilane
CID 15134731
bis(azepan-1-yl)-methylsilane
CID 71387961
1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine
CID 154467917
1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol
CID 121494130
1-(6,6,6-trifluorohexyl)piperidine
CID 71259183

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane?
The IUPAC name of 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane (CID 140503768) is 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane.
What is the SMILES notation for 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane?
The canonical SMILES for 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane is FC(F)(F)C(F)(F)CC[SiH](N1CCCCC1)N1CCCC1.
What is the InChIKey of 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane?
The InChIKey is PGSMEDOFNXCSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F5N2Si/c14-12(15,13(16,17)18)6-11-21(20-9-4-5-10-20)19-7-2-1-3-8-19/h21H,1-11H2.
What are the key properties of 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane?
3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane has a molecular weight of 330.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluorobutyl-piperidin-1-yl-pyrrolidin-1-ylsilane is sourced from PubChem (CID 140503768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).