N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide

C12H14F5NO4Si — CID 90170706

IUPACN-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCO[Si](O)(O)CCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO4Si/c1-22-23(20,21)5-3-2-4-18-12(19)6-7(13)9(15)11(17)10(16)8(6)14/h20-21H,2-5H2,1H3,(H,18,19)
InChIKeyKCORGUWPWJSJLP-UHFFFAOYSA-N
MW359.32 g/mol
LogP1.46
Rot. Bonds7

About N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide

N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide (PubChem CID 90170706) has the molecular formula C12H14F5NO4Si and a molecular weight of 359.32 g/mol. Its IUPAC name is N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
PubChem CID90170706
Molecular FormulaC12H14F5NO4Si
Molecular Weight359.32 g/mol
Exact Mass359.06
IUPAC NameN-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCO[Si](O)(O)CCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO4Si/c1-22-23(20,21)5-3-2-4-18-12(19)6-7(13)9(15)11(17)10(16)8(6)14/h20-21H,2-5H2,1H3,(H,18,19)
InChIKeyKCORGUWPWJSJLP-UHFFFAOYSA-N
XLogP1.46
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282
N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide
CID 90171563
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
CID 106120495
1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 90172008
N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 106307985
2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243310
N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
CID 106153328
(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate
CID 90172412
4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
CID 59753258
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide
CID 59172569

Frequently Asked Questions

What is the IUPAC name of N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide (CID 90170706) is N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide is CO[Si](O)(O)CCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is KCORGUWPWJSJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO4Si/c1-22-23(20,21)5-3-2-4-18-12(19)6-7(13)9(15)11(17)10(16)8(6)14/h20-21H,2-5H2,1H3,(H,18,19).
What are the key properties of N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide?
N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 359.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 90170706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).