1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate

C8H12F4O6 — CID 157297990

IUPAC1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate
SMILESCCC(F)(F)OC(=O)O.O=C(OCF)OCCF
InChIInChI=1S/2C4H6F2O3/c5-1-2-8-4(7)9-3-6;1-2-4(5,6)9-3(7)8/h1-3H2;2H2,1H3,(H,7,8)
InChIKeyBBOJKQMFVIFGEF-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.72
Rot. Bonds5

About 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate

1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate (PubChem CID 157297990) has the molecular formula C8H12F4O6 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate.

Molecular Properties

Compound Name1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate
PubChem CID157297990
Molecular FormulaC8H12F4O6
Molecular Weight280.17 g/mol
Exact Mass280.06
IUPAC Name1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate
SMILESCCC(F)(F)OC(=O)O.O=C(OCF)OCCF
InChIInChI=1S/2C4H6F2O3/c5-1-2-8-4(7)9-3-6;1-2-4(5,6)9-3(7)8/h1-3H2;2H2,1H3,(H,7,8)
InChIKeyBBOJKQMFVIFGEF-UHFFFAOYSA-N
XLogP2.72
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate?
The IUPAC name of 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate (CID 157297990) is 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate.
What is the SMILES notation for 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate?
The canonical SMILES for 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate is CCC(F)(F)OC(=O)O.O=C(OCF)OCCF.
What is the InChIKey of 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate?
The InChIKey is BBOJKQMFVIFGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6F2O3/c5-1-2-8-4(7)9-3-6;1-2-4(5,6)9-3(7)8/h1-3H2;2H2,1H3,(H,7,8).
What are the key properties of 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate?
1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate has a molecular weight of 280.17 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropyl hydrogen carbonate;2-fluoroethyl fluoromethyl carbonate is sourced from PubChem (CID 157297990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).