bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate

C9H12F6O3 — CID 139329509

IUPACbis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate
SMILESO=C(OCC(F)(CF)CF)OCC(F)(CF)CF
InChIInChI=1S/C9H12F6O3/c10-1-8(14,2-11)5-17-7(16)18-6-9(15,3-12)4-13/h1-6H2
InChIKeyQOLMSYVIHIUIAX-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.43
Rot. Bonds8

About bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate

bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate (PubChem CID 139329509) has the molecular formula C9H12F6O3 and a molecular weight of 282.18 g/mol. Its IUPAC name is bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate.

Molecular Properties

Compound Namebis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate
PubChem CID139329509
Molecular FormulaC9H12F6O3
Molecular Weight282.18 g/mol
Exact Mass282.07
IUPAC Namebis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate
SMILESO=C(OCC(F)(CF)CF)OCC(F)(CF)CF
InChIInChI=1S/C9H12F6O3/c10-1-8(14,2-11)5-17-7(16)18-6-9(15,3-12)4-13/h1-6H2
InChIKeyQOLMSYVIHIUIAX-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate?
The IUPAC name of bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate (CID 139329509) is bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate.
What is the SMILES notation for bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate?
The canonical SMILES for bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate is O=C(OCC(F)(CF)CF)OCC(F)(CF)CF.
What is the InChIKey of bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate?
The InChIKey is QOLMSYVIHIUIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O3/c10-1-8(14,2-11)5-17-7(16)18-6-9(15,3-12)4-13/h1-6H2.
What are the key properties of bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate?
bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate has a molecular weight of 282.18 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate is sourced from PubChem (CID 139329509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).