bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate

C19H16F6O3 — CID 87292552

IUPACbis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate
SMILESCC(C)(OC(=O)OC(C)(C)c1c(F)cc(F)cc1F)c1c(F)cc(F)cc1F
InChIInChI=1S/C19H16F6O3/c1-18(2,15-11(22)5-9(20)6-12(15)23)27-17(26)28-19(3,4)16-13(24)7-10(21)8-14(16)25/h5-8H,1-4H3
InChIKeyPDIMTHWPOAMGLG-UHFFFAOYSA-N
MW406.32 g/mol
LogP5.84
Rot. Bonds4

About bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate

bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate (PubChem CID 87292552) has the molecular formula C19H16F6O3 and a molecular weight of 406.32 g/mol. Its IUPAC name is bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate.

Molecular Properties

Compound Namebis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate
PubChem CID87292552
Molecular FormulaC19H16F6O3
Molecular Weight406.32 g/mol
Exact Mass406.10
IUPAC Namebis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate
SMILESCC(C)(OC(=O)OC(C)(C)c1c(F)cc(F)cc1F)c1c(F)cc(F)cc1F
InChIInChI=1S/C19H16F6O3/c1-18(2,15-11(22)5-9(20)6-12(15)23)27-17(26)28-19(3,4)16-13(24)7-10(21)8-14(16)25/h5-8H,1-4H3
InChIKeyPDIMTHWPOAMGLG-UHFFFAOYSA-N
XLogP5.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
CID 83402908
2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide
CID 58243616
2-tert-butyl-3,5-difluorophenol
CID 118328413
4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid
CID 117049910
tert-butyl 2-(2,3,5-trifluoroanilino)acetate
CID 55138442
(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
tert-butyl N-(2-amino-3,5-difluorophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 122618961
tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate
CID 118337488
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide
CID 174866073
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322

Frequently Asked Questions

What is the IUPAC name of bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate?
The IUPAC name of bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate (CID 87292552) is bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate.
What is the SMILES notation for bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate?
The canonical SMILES for bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate is CC(C)(OC(=O)OC(C)(C)c1c(F)cc(F)cc1F)c1c(F)cc(F)cc1F.
What is the InChIKey of bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate?
The InChIKey is PDIMTHWPOAMGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6O3/c1-18(2,15-11(22)5-9(20)6-12(15)23)27-17(26)28-19(3,4)16-13(24)7-10(21)8-14(16)25/h5-8H,1-4H3.
What are the key properties of bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate?
bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate has a molecular weight of 406.32 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate is sourced from PubChem (CID 87292552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).