1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate

C7H10F2O6 — CID 130266239

IUPAC1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate
SMILESCC(COC(=O)OCF)OC(=O)OCF
InChIInChI=1S/C7H10F2O6/c1-5(15-7(11)14-4-9)2-12-6(10)13-3-8/h5H,2-4H2,1H3
InChIKeyYVHULZKHCVVPAJ-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.54
Rot. Bonds5

About 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate

1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate (PubChem CID 130266239) has the molecular formula C7H10F2O6 and a molecular weight of 228.15 g/mol. Its IUPAC name is 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate.

Molecular Properties

Compound Name1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate
PubChem CID130266239
Molecular FormulaC7H10F2O6
Molecular Weight228.15 g/mol
Exact Mass228.04
IUPAC Name1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate
SMILESCC(COC(=O)OCF)OC(=O)OCF
InChIInChI=1S/C7H10F2O6/c1-5(15-7(11)14-4-9)2-12-6(10)13-3-8/h5H,2-4H2,1H3
InChIKeyYVHULZKHCVVPAJ-UHFFFAOYSA-N
XLogP1.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
CID 58422700
1-(2-ethylhexoxycarbonyloxy)propan-2-yl 2-ethylhexyl carbonate
CID 59502797
1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate
CID 153444400
1-O-[2-(2-hydroxypropoxycarbonyloxy)propyl] 3-O-[2-(2-methoxypropoxycarbonyloxy)propyl] propanedioate
CID 88542811
dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol
CID 161167335
bis(1-hydroperoxypropan-2-yl) carbonate
CID 174639053
2-[3-hydroxy-2-(2-hydroxypropoxy)propoxy]carbonyloxypropyl [2-(2-hydroxypropoxy)-3-methoxypropyl] carbonate
CID 18965870
tert-butyl 1-(1-hydroxypropan-2-yloxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(1-hydroxypropan-2-yloxycarbonyloxy)propyl carbonate;tert-butyl 1-(2-hydroxypropoxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(2-hydroxypropoxycarbonyloxy)propyl carbonate
CID 158897155
[2,5-dimethyl-4-(2-methylpropoxycarbonyloxy)hexan-3-yl] 2-methylpropyl carbonate
CID 88596961
decan-2-yl 2-methylpropyl carbonate
CID 91692891
4-O-[1-[1-[2-[2-[4-(2-hydroxyethoxy)-4-oxobutanoyl]oxypropoxycarbonyloxy]propoxy]propan-2-yloxycarbonyloxy]propan-2-yl] 1-O-(2-hydroxyethyl) butanedioate
CID 126492818
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate?
The IUPAC name of 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate (CID 130266239) is 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate.
What is the SMILES notation for 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate?
The canonical SMILES for 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate is CC(COC(=O)OCF)OC(=O)OCF.
What is the InChIKey of 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate?
The InChIKey is YVHULZKHCVVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O6/c1-5(15-7(11)14-4-9)2-12-6(10)13-3-8/h5H,2-4H2,1H3.
What are the key properties of 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate?
1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate has a molecular weight of 228.15 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate is sourced from PubChem (CID 130266239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).