(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate

C14H18F5NO5Si — CID 90171901

IUPAC(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
SMILESCCO[Si](CCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C14H18F5NO5Si/c1-4-24-26(22-2,23-3)7-5-6-20-14(21)25-13-11(18)9(16)8(15)10(17)12(13)19/h4-7H2,1-3H3,(H,20,21)
InChIKeyUDZOGWRNTZXVHF-UHFFFAOYSA-N
MW403.38 g/mol
LogP3.13
Rot. Bonds9

About (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate

(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate (PubChem CID 90171901) has the molecular formula C14H18F5NO5Si and a molecular weight of 403.38 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
PubChem CID90171901
Molecular FormulaC14H18F5NO5Si
Molecular Weight403.38 g/mol
Exact Mass403.09
IUPAC Name(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
SMILESCCO[Si](CCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C14H18F5NO5Si/c1-4-24-26(22-2,23-3)7-5-6-20-14(21)25-13-11(18)9(16)8(15)10(17)12(13)19/h4-7H2,1-3H3,(H,20,21)
InChIKeyUDZOGWRNTZXVHF-UHFFFAOYSA-N
XLogP3.13
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
CID 90171931
(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate
CID 90172511
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282
(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate
CID 90172412
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate
CID 90173744
ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane
CID 90173094
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922
pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 59228638

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate (CID 90171901) is (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate is CCO[Si](CCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC)OC.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate?
The InChIKey is UDZOGWRNTZXVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5NO5Si/c1-4-24-26(22-2,23-3)7-5-6-20-14(21)25-13-11(18)9(16)8(15)10(17)12(13)19/h4-7H2,1-3H3,(H,20,21).
What are the key properties of (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate?
(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate has a molecular weight of 403.38 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate is sourced from PubChem (CID 90171901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).