(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate

C14H18F5NO3Si — CID 90172412

IUPAC(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate
SMILESCO[Si](C)(C)CCCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H18F5NO3Si/c1-22-24(2,3)7-5-4-6-20-14(21)23-13-11(18)9(16)8(15)10(17)12(13)19/h4-7H2,1-3H3,(H,20,21)
InChIKeyZQLIWQPPJBNNMX-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.10
Rot. Bonds7

About (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate

(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate (PubChem CID 90172412) has the molecular formula C14H18F5NO3Si and a molecular weight of 371.38 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate
PubChem CID90172412
Molecular FormulaC14H18F5NO3Si
Molecular Weight371.38 g/mol
Exact Mass371.10
IUPAC Name(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate
SMILESCO[Si](C)(C)CCCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H18F5NO3Si/c1-22-24(2,3)7-5-4-6-20-14(21)23-13-11(18)9(16)8(15)10(17)12(13)19/h4-7H2,1-3H3,(H,20,21)
InChIKeyZQLIWQPPJBNNMX-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate
CID 90172511
(2,3,4,5,6-pentafluorophenyl) N-[5-(trimethoxymethyl)tridecyl]carbamate
CID 152605963
1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 90172008
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
CID 90171931
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate
CID 90173744
N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
CID 90170706
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate
CID 90172406
4-trimethoxysilylbutylcarbamic acid
CID 18755644
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate (CID 90172412) is (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate is CO[Si](C)(C)CCCCNC(=O)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate?
The InChIKey is ZQLIWQPPJBNNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5NO3Si/c1-22-24(2,3)7-5-4-6-20-14(21)23-13-11(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-[4-[methoxy(dimethyl)silyl]butyl]carbamate?
(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate has a molecular weight of 371.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate is sourced from PubChem (CID 90172412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).