1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate

C6H8F4O3 — CID 87430467

IUPAC1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate
SMILESO=C(O)OC(CCC(F)F)C(F)F
InChIInChI=1S/C6H8F4O3/c7-4(8)2-1-3(5(9)10)13-6(11)12/h3-5H,1-2H2,(H,11,12)
InChIKeyXVJIQBCDTRSFQA-UHFFFAOYSA-N
MW204.12 g/mol
LogP2.36
Rot. Bonds5

About 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate

1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate (PubChem CID 87430467) has the molecular formula C6H8F4O3 and a molecular weight of 204.12 g/mol. Its IUPAC name is 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate
PubChem CID87430467
Molecular FormulaC6H8F4O3
Molecular Weight204.12 g/mol
Exact Mass204.04
IUPAC Name1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate
SMILESO=C(O)OC(CCC(F)F)C(F)F
InChIInChI=1S/C6H8F4O3/c7-4(8)2-1-3(5(9)10)13-6(11)12/h3-5H,1-2H2,(H,11,12)
InChIKeyXVJIQBCDTRSFQA-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate?
The IUPAC name of 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate (CID 87430467) is 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate.
What is the SMILES notation for 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate?
The canonical SMILES for 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate is O=C(O)OC(CCC(F)F)C(F)F.
What is the InChIKey of 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate?
The InChIKey is XVJIQBCDTRSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O3/c7-4(8)2-1-3(5(9)10)13-6(11)12/h3-5H,1-2H2,(H,11,12).
What are the key properties of 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate?
1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate has a molecular weight of 204.12 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetrafluoropentan-2-yl hydrogen carbonate is sourced from PubChem (CID 87430467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).