N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide

C14H18F5NO2Si — CID 90171111

IUPACN-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide
SMILESCC(C)[Si](O)(C(C)C)C(F)(F)N(F)C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H18F5NO2Si/c1-8(2)23(22,9(3)4)14(17,18)20(19)13(21)10-6-5-7-11(15)12(10)16/h5-9,22H,1-4H3
InChIKeySWDCLBSIBPTEKA-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.18
Rot. Bonds5

About N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide

N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide (PubChem CID 90171111) has the molecular formula C14H18F5NO2Si and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide.

Molecular Properties

Compound NameN-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide
PubChem CID90171111
Molecular FormulaC14H18F5NO2Si
Molecular Weight355.38 g/mol
Exact Mass355.10
IUPAC NameN-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide
SMILESCC(C)[Si](O)(C(C)C)C(F)(F)N(F)C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H18F5NO2Si/c1-8(2)23(22,9(3)4)14(17,18)20(19)13(21)10-6-5-7-11(15)12(10)16/h5-9,22H,1-4H3
InChIKeySWDCLBSIBPTEKA-UHFFFAOYSA-N
XLogP4.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide
CID 90171777
2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 55210661
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide
CID 87474949
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951

Frequently Asked Questions

What is the IUPAC name of N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide?
The IUPAC name of N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide (CID 90171111) is N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide.
What is the SMILES notation for N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide?
The canonical SMILES for N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide is CC(C)[Si](O)(C(C)C)C(F)(F)N(F)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide?
The InChIKey is SWDCLBSIBPTEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5NO2Si/c1-8(2)23(22,9(3)4)14(17,18)20(19)13(21)10-6-5-7-11(15)12(10)16/h5-9,22H,1-4H3.
What are the key properties of N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide?
N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide has a molecular weight of 355.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide is sourced from PubChem (CID 90171111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).