(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate

C17H24F5NO5Si — CID 90172511

IUPAC(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate
SMILESCO[Si](CCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC(C)C)OC(C)C
InChIInChI=1S/C17H24F5NO5Si/c1-9(2)27-29(25-5,28-10(3)4)8-6-7-23-17(24)26-16-14(21)12(19)11(18)13(20)15(16)22/h9-10H,6-8H2,1-5H3,(H,23,24)
InChIKeyXVXPMGYMKFFPPC-UHFFFAOYSA-N
MW445.46 g/mol
LogP4.30
Rot. Bonds10

About (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate

(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate (PubChem CID 90172511) has the molecular formula C17H24F5NO5Si and a molecular weight of 445.46 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate
PubChem CID90172511
Molecular FormulaC17H24F5NO5Si
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC Name(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate
SMILESCO[Si](CCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC(C)C)OC(C)C
InChIInChI=1S/C17H24F5NO5Si/c1-9(2)27-29(25-5,28-10(3)4)8-6-7-23-17(24)26-16-14(21)12(19)11(18)13(20)15(16)22/h9-10H,6-8H2,1-5H3,(H,23,24)
InChIKeyXVXPMGYMKFFPPC-UHFFFAOYSA-N
XLogP4.30
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.30
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-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
CID 90171901
(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate
CID 90172406
(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate
CID 90172412
1-(2,3,4,5,6-pentafluorophenyl)-3-[4-tri(propan-2-yloxy)silylbutyl]urea
CID 90170840
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
CID 90171452
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
CID 90171931
1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea
CID 170548768
4-[dimethoxy(propan-2-yloxy)silyl]butyl 2,3,4,5,6-pentafluorobenzoate
CID 90172340
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
(2,3,4,5,6-pentafluorophenyl) N-[5-(trimethoxymethyl)tridecyl]carbamate
CID 152605963
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate (CID 90172511) is (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate is CO[Si](CCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC(C)C)OC(C)C.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate?
The InChIKey is XVXPMGYMKFFPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F5NO5Si/c1-9(2)27-29(25-5,28-10(3)4)8-6-7-23-17(24)26-16-14(21)12(19)11(18)13(20)15(16)22/h9-10H,6-8H2,1-5H3,(H,23,24).
What are the key properties of (2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate?
(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate has a molecular weight of 445.46 g/mol, XLogP of 4.30, 10 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-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate is sourced from PubChem (CID 90172511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).