[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate

C19H33F3NO6PSi2 — CID 139986850

IUPAC[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate
SMILESC[Si](C)(C)CCOP(=O)(OCC[Si](C)(C)C)Oc1ccc(C(F)(F)F)cc1COC(N)=O
InChIInChI=1S/C19H33F3NO6PSi2/c1-31(2,3)11-9-27-30(25,28-10-12-32(4,5)6)29-17-8-7-16(19(20,21)22)13-15(17)14-26-18(23)24/h7-8,13H,9-12,14H2,1-6H3,(H2,23,24)
InChIKeyCJZSRBFPVPLJAT-UHFFFAOYSA-N
MW515.61 g/mol
LogP6.50
Rot. Bonds12

About [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate

[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate (PubChem CID 139986850) has the molecular formula C19H33F3NO6PSi2 and a molecular weight of 515.61 g/mol. Its IUPAC name is [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate
PubChem CID139986850
Molecular FormulaC19H33F3NO6PSi2
Molecular Weight515.61 g/mol
Exact Mass515.15
IUPAC Name[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate
SMILESC[Si](C)(C)CCOP(=O)(OCC[Si](C)(C)C)Oc1ccc(C(F)(F)F)cc1COC(N)=O
InChIInChI=1S/C19H33F3NO6PSi2/c1-31(2,3)11-9-27-30(25,28-10-12-32(4,5)6)29-17-8-7-16(19(20,21)22)13-15(17)14-26-18(23)24/h7-8,13H,9-12,14H2,1-6H3,(H2,23,24)
InChIKeyCJZSRBFPVPLJAT-UHFFFAOYSA-N
XLogP6.50
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl N-[2-(2-carbamothioylhydrazinyl)-4-methyl-3-pyridinyl]carbamate
CID 152762156
[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl N-[2-[(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]carbamate
CID 87310036
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
tert-butyl N-[[2-amino-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 171666541
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
[2-isothiocyanato-5-(trifluoromethyl)-3-pyridinyl]methyl carbamate
CID 155230181
(R)-[2,5-bis(trifluoromethyl)phenyl]-diethoxyphosphorylmethanamine
CID 171192268
(S)-[2,5-bis(trifluoromethyl)phenyl]-diethoxyphosphorylmethanamine
CID 171191850
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
CID 151784104

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate?
The IUPAC name of [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate (CID 139986850) is [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate.
What is the SMILES notation for [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate?
The canonical SMILES for [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate is C[Si](C)(C)CCOP(=O)(OCC[Si](C)(C)C)Oc1ccc(C(F)(F)F)cc1COC(N)=O.
What is the InChIKey of [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate?
The InChIKey is CJZSRBFPVPLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3NO6PSi2/c1-31(2,3)11-9-27-30(25,28-10-12-32(4,5)6)29-17-8-7-16(19(20,21)22)13-15(17)14-26-18(23)24/h7-8,13H,9-12,14H2,1-6H3,(H2,23,24).
What are the key properties of [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate?
[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate has a molecular weight of 515.61 g/mol, XLogP of 6.50, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate is sourced from PubChem (CID 139986850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).