(5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine

C13H19F2NSi — CID 164682511

IUPAC(5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine
SMILESC[C@H]1C[Si](C)(C)CN1Cc1c(F)cccc1F
InChIInChI=1S/C13H19F2NSi/c1-10-8-17(2,3)9-16(10)7-11-12(14)5-4-6-13(11)15/h4-6,10H,7-9H2,1-3H3/t10-/m0/s1
InChIKeyAWPKBHOREVCFEQ-JTQLQIEISA-N
MW255.38 g/mol
LogP3.42
Rot. Bonds2

About (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine

(5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine (PubChem CID 164682511) has the molecular formula C13H19F2NSi and a molecular weight of 255.38 g/mol. Its IUPAC name is (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine.

Molecular Properties

Compound Name(5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine
PubChem CID164682511
Molecular FormulaC13H19F2NSi
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name(5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine
SMILESC[C@H]1C[Si](C)(C)CN1Cc1c(F)cccc1F
InChIInChI=1S/C13H19F2NSi/c1-10-8-17(2,3)9-16(10)7-11-12(14)5-4-6-13(11)15/h4-6,10H,7-9H2,1-3H3/t10-/m0/s1
InChIKeyAWPKBHOREVCFEQ-JTQLQIEISA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.42
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

N-methyl-2-phenylpyrrolidine
CID 248799
(2S)-1-Methyl-2-phenylpyrrolidine
CID 12625600
1-[(3-Fluorophenyl)methyl]pyrrolidine
CID 22197529
7-[(3-Fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 70683685
1-Methyl-2-(3-methylphenyl)pyrrolidine
CID 284905
2-(3-Fluorophenyl)-1-methylpyrrolidine
CID 12654275
1-Methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 44386545
2-(4-Fluoro-phenyl)-1-methyl-pyrrolidine
CID 44386814
Pyrrolidine, 1-benzyl-3-(ethylmethylamino)-, dihydrochloride, L-(S)-
CID 3046569
Pyrrolidine, 1-(1-phenylpentyl)-, hydrochloride
CID 3057979
N-Benzyl-N-(trimethylsilylmethyl)aminoacetonitrile
CID 560960
N-Benzyl-1-(trimethylsilyl)-N-((trimethylsilyl)methyl)methanamine
CID 11832796

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine?
The IUPAC name of (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine (CID 164682511) is (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine.
What is the SMILES notation for (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine?
The canonical SMILES for (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine is C[C@H]1C[Si](C)(C)CN1Cc1c(F)cccc1F.
What is the InChIKey of (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine?
The InChIKey is AWPKBHOREVCFEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19F2NSi/c1-10-8-17(2,3)9-16(10)7-11-12(14)5-4-6-13(11)15/h4-6,10H,7-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine?
(5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine has a molecular weight of 255.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(2,6-difluorophenyl)methyl]-3,3,5-trimethyl-1,3-azasilolidine is sourced from PubChem (CID 164682511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).