3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile

C34H46F2N2OSi2 — CID 68985806

IUPAC3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile
SMILESCC(C)(CC1CC(C#N)(c2ccc(F)cc2)C1)[Si](C)(C)O[Si](C)(C)C(C)(C)CC1CC(C#N)(c2ccc(F)cc2)C1
InChIInChI=1S/C34H46F2N2OSi2/c1-31(2,17-25-19-33(20-25,23-37)27-9-13-29(35)14-10-27)40(5,6)39-41(7,8)32(3,4)18-26-21-34(22-26,24-38)28-11-15-30(36)16-12-28/h9-16,25-26H,17-22H2,1-8H3
InChIKeyLIRNDXLUYWUSCP-UHFFFAOYSA-N
MW592.92 g/mol
LogP9.78
Rot. Bonds10

About 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile

3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile (PubChem CID 68985806) has the molecular formula C34H46F2N2OSi2 and a molecular weight of 592.92 g/mol. Its IUPAC name is 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile
PubChem CID68985806
Molecular FormulaC34H46F2N2OSi2
Molecular Weight592.92 g/mol
Exact Mass592.31
IUPAC Name3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile
SMILESCC(C)(CC1CC(C#N)(c2ccc(F)cc2)C1)[Si](C)(C)O[Si](C)(C)C(C)(C)CC1CC(C#N)(c2ccc(F)cc2)C1
InChIInChI=1S/C34H46F2N2OSi2/c1-31(2,17-25-19-33(20-25,23-37)27-9-13-29(35)14-10-27)40(5,6)39-41(7,8)32(3,4)18-26-21-34(22-26,24-38)28-11-15-30(36)16-12-28/h9-16,25-26H,17-22H2,1-8H3
InChIKeyLIRNDXLUYWUSCP-UHFFFAOYSA-N
XLogP9.78
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.92
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile with MolForge

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Related Compounds

1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016673
3-[[2-chloro-3-(trifluoromethyl)-4-pyridinyl]oxy]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile
CID 122461213
3-tert-butyl-1-(4-chlorophenyl)cyclobutane-1-carbonitrile
CID 65017310
(3R)-3-(4-fluorophenyl)oxane-3-carbonitrile
CID 125450406
2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile
CID 65009696
3-methyl-1-pyridin-4-ylcyclobutane-1-carbonitrile
CID 80524343
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
CID 11781176
3-(2,2-dimethylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905056
3-tert-butyl-1-(4-nitrophenyl)cyclobutane-1-carbonitrile
CID 103193782
2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile
CID 13201264
1-[1-(4-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexane-1-carbonitrile
CID 79130608
N-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25018786

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile (CID 68985806) is 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile is CC(C)(CC1CC(C#N)(c2ccc(F)cc2)C1)[Si](C)(C)O[Si](C)(C)C(C)(C)CC1CC(C#N)(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile?
The InChIKey is LIRNDXLUYWUSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46F2N2OSi2/c1-31(2,17-25-19-33(20-25,23-37)27-9-13-29(35)14-10-27)40(5,6)39-41(7,8)32(3,4)18-26-21-34(22-26,24-38)28-11-15-30(36)16-12-28/h9-16,25-26H,17-22H2,1-8H3.
What are the key properties of 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile?
3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile has a molecular weight of 592.92 g/mol, XLogP of 9.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 68985806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).