5,5-difluoropentan-2-yl hydrogen carbonate

C6H10F2O3 — CID 87132090

IUPAC5,5-difluoropentan-2-yl hydrogen carbonate
SMILESCC(CCC(F)F)OC(=O)O
InChIInChI=1S/C6H10F2O3/c1-4(11-6(9)10)2-3-5(7)8/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyXYVVNQBHWUHJLP-UHFFFAOYSA-N
MW168.14 g/mol
LogP2.11
Rot. Bonds4

About 5,5-difluoropentan-2-yl hydrogen carbonate

5,5-difluoropentan-2-yl hydrogen carbonate (PubChem CID 87132090) has the molecular formula C6H10F2O3 and a molecular weight of 168.14 g/mol. Its IUPAC name is 5,5-difluoropentan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name5,5-difluoropentan-2-yl hydrogen carbonate
PubChem CID87132090
Molecular FormulaC6H10F2O3
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Name5,5-difluoropentan-2-yl hydrogen carbonate
SMILESCC(CCC(F)F)OC(=O)O
InChIInChI=1S/C6H10F2O3/c1-4(11-6(9)10)2-3-5(7)8/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyXYVVNQBHWUHJLP-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropentan-2-yl hydrogen carbonate?
The IUPAC name of 5,5-difluoropentan-2-yl hydrogen carbonate (CID 87132090) is 5,5-difluoropentan-2-yl hydrogen carbonate.
What is the SMILES notation for 5,5-difluoropentan-2-yl hydrogen carbonate?
The canonical SMILES for 5,5-difluoropentan-2-yl hydrogen carbonate is CC(CCC(F)F)OC(=O)O.
What is the InChIKey of 5,5-difluoropentan-2-yl hydrogen carbonate?
The InChIKey is XYVVNQBHWUHJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3/c1-4(11-6(9)10)2-3-5(7)8/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 5,5-difluoropentan-2-yl hydrogen carbonate?
5,5-difluoropentan-2-yl hydrogen carbonate has a molecular weight of 168.14 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropentan-2-yl hydrogen carbonate is sourced from PubChem (CID 87132090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).