N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine

C24H33F2NOSi — CID 156893660

IUPACN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine
SMILESCC(C)(C)[Si](OCCNC1CCC(F)(F)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33F2NOSi/c1-23(2,3)29(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-19-18-27-20-14-16-24(25,26)17-15-20/h4-13,20,27H,14-19H2,1-3H3
InChIKeyMGRSQJRLHAFJOK-UHFFFAOYSA-N
MW417.62 g/mol
LogP4.73
Rot. Bonds7

About N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine

N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine (PubChem CID 156893660) has the molecular formula C24H33F2NOSi and a molecular weight of 417.62 g/mol. Its IUPAC name is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine
PubChem CID156893660
Molecular FormulaC24H33F2NOSi
Molecular Weight417.62 g/mol
Exact Mass417.23
IUPAC NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine
SMILESCC(C)(C)[Si](OCCNC1CCC(F)(F)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33F2NOSi/c1-23(2,3)29(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-19-18-27-20-14-16-24(25,26)17-15-20/h4-13,20,27H,14-19H2,1-3H3
InChIKeyMGRSQJRLHAFJOK-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine?
The IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine (CID 156893660) is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine is CC(C)(C)[Si](OCCNC1CCC(F)(F)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine?
The InChIKey is MGRSQJRLHAFJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2NOSi/c1-23(2,3)29(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-19-18-27-20-14-16-24(25,26)17-15-20/h4-13,20,27H,14-19H2,1-3H3.
What are the key properties of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine?
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine has a molecular weight of 417.62 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 156893660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).