N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide

C11H12F5NO4Si — CID 90171777

IUPACN-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide
SMILESCO[Si](OC)(OC)C(F)(F)N(F)C(=O)c1cccc(F)c1F
InChIInChI=1S/C11H12F5NO4Si/c1-19-22(20-2,21-3)11(14,15)17(16)10(18)7-5-4-6-8(12)9(7)13/h4-6H,1-3H3
InChIKeyOPGRYODCLVVBOS-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.30
Rot. Bonds6

About N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide

N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide (PubChem CID 90171777) has the molecular formula C11H12F5NO4Si and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide.

Molecular Properties

Compound NameN-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide
PubChem CID90171777
Molecular FormulaC11H12F5NO4Si
Molecular Weight345.30 g/mol
Exact Mass345.05
IUPAC NameN-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide
SMILESCO[Si](OC)(OC)C(F)(F)N(F)C(=O)c1cccc(F)c1F
InChIInChI=1S/C11H12F5NO4Si/c1-19-22(20-2,21-3)11(14,15)17(16)10(18)7-5-4-6-8(12)9(7)13/h4-6H,1-3H3
InChIKeyOPGRYODCLVVBOS-UHFFFAOYSA-N
XLogP2.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[hydroxy-di(propan-2-yl)silyl]methyl]-N,2,3-trifluorobenzamide
CID 90171111
N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide
CID 87474949
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
N-(2-bromo-3-methoxypropyl)-2,3-difluoro-N-methylbenzamide
CID 80671246
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157

Frequently Asked Questions

What is the IUPAC name of N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide?
The IUPAC name of N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide (CID 90171777) is N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide.
What is the SMILES notation for N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide?
The canonical SMILES for N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide is CO[Si](OC)(OC)C(F)(F)N(F)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide?
The InChIKey is OPGRYODCLVVBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO4Si/c1-19-22(20-2,21-3)11(14,15)17(16)10(18)7-5-4-6-8(12)9(7)13/h4-6H,1-3H3.
What are the key properties of N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide?
N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide has a molecular weight of 345.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro(trimethoxysilyl)methyl]-N,2,3-trifluorobenzamide is sourced from PubChem (CID 90171777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).