1,2,3,3-tetrafluoropropyl hydrogen carbonate

C4H4F4O3 — CID 21435693

IUPAC1,2,3,3-tetrafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)C(F)C(F)F
InChIInChI=1S/C4H4F4O3/c5-1(2(6)7)3(8)11-4(9)10/h1-3H,(H,9,10)
InChIKeyJVBCXBVPIAIKGE-UHFFFAOYSA-N
MW176.06 g/mol
LogP1.58
Rot. Bonds3

About 1,2,3,3-tetrafluoropropyl hydrogen carbonate

1,2,3,3-tetrafluoropropyl hydrogen carbonate (PubChem CID 21435693) has the molecular formula C4H4F4O3 and a molecular weight of 176.06 g/mol. Its IUPAC name is 1,2,3,3-tetrafluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name1,2,3,3-tetrafluoropropyl hydrogen carbonate
PubChem CID21435693
Molecular FormulaC4H4F4O3
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name1,2,3,3-tetrafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)C(F)C(F)F
InChIInChI=1S/C4H4F4O3/c5-1(2(6)7)3(8)11-4(9)10/h1-3H,(H,9,10)
InChIKeyJVBCXBVPIAIKGE-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetrafluoropropyl hydrogen carbonate?
The IUPAC name of 1,2,3,3-tetrafluoropropyl hydrogen carbonate (CID 21435693) is 1,2,3,3-tetrafluoropropyl hydrogen carbonate.
What is the SMILES notation for 1,2,3,3-tetrafluoropropyl hydrogen carbonate?
The canonical SMILES for 1,2,3,3-tetrafluoropropyl hydrogen carbonate is O=C(O)OC(F)C(F)C(F)F.
What is the InChIKey of 1,2,3,3-tetrafluoropropyl hydrogen carbonate?
The InChIKey is JVBCXBVPIAIKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O3/c5-1(2(6)7)3(8)11-4(9)10/h1-3H,(H,9,10).
What are the key properties of 1,2,3,3-tetrafluoropropyl hydrogen carbonate?
1,2,3,3-tetrafluoropropyl hydrogen carbonate has a molecular weight of 176.06 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetrafluoropropyl hydrogen carbonate is sourced from PubChem (CID 21435693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).