[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid

C22H30FNO3Si — CID 174056730

IUPAC[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid
SMILESCN(CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C22H30FNO3Si/c1-22(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)27-16-15-18(23)17-24(4)21(25)26/h5-14,18H,15-17H2,1-4H3,(H,25,26)
InChIKeyRIMAXUQWIOJOLU-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.90
Rot. Bonds8

About [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid

[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid (PubChem CID 174056730) has the molecular formula C22H30FNO3Si and a molecular weight of 403.57 g/mol. Its IUPAC name is [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid
PubChem CID174056730
Molecular FormulaC22H30FNO3Si
Molecular Weight403.57 g/mol
Exact Mass403.20
IUPAC Name[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid
SMILESCN(CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C22H30FNO3Si/c1-22(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)27-16-15-18(23)17-24(4)21(25)26/h5-14,18H,15-17H2,1-4H3,(H,25,26)
InChIKeyRIMAXUQWIOJOLU-UHFFFAOYSA-N
XLogP3.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid?
The IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid (CID 174056730) is [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid.
What is the SMILES notation for [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid?
The canonical SMILES for [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid is CN(CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid?
The InChIKey is RIMAXUQWIOJOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO3Si/c1-22(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)27-16-15-18(23)17-24(4)21(25)26/h5-14,18H,15-17H2,1-4H3,(H,25,26).
What are the key properties of [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid?
[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid has a molecular weight of 403.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid is sourced from PubChem (CID 174056730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).