1,3-difluoropropyl hydrogen carbonate

C4H6F2O3 — CID 54301400

IUPAC1,3-difluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)CCF
InChIInChI=1S/C4H6F2O3/c5-2-1-3(6)9-4(7)8/h3H,1-2H2,(H,7,8)
InChIKeySELGQGZDYNFJHF-UHFFFAOYSA-N
MW140.08 g/mol
LogP1.34
Rot. Bonds3

About 1,3-difluoropropyl hydrogen carbonate

1,3-difluoropropyl hydrogen carbonate (PubChem CID 54301400) has the molecular formula C4H6F2O3 and a molecular weight of 140.08 g/mol. Its IUPAC name is 1,3-difluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name1,3-difluoropropyl hydrogen carbonate
PubChem CID54301400
Molecular FormulaC4H6F2O3
Molecular Weight140.08 g/mol
Exact Mass140.03
IUPAC Name1,3-difluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)CCF
InChIInChI=1S/C4H6F2O3/c5-2-1-3(6)9-4(7)8/h3H,1-2H2,(H,7,8)
InChIKeySELGQGZDYNFJHF-UHFFFAOYSA-N
XLogP1.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropropyl hydrogen carbonate?
The IUPAC name of 1,3-difluoropropyl hydrogen carbonate (CID 54301400) is 1,3-difluoropropyl hydrogen carbonate.
What is the SMILES notation for 1,3-difluoropropyl hydrogen carbonate?
The canonical SMILES for 1,3-difluoropropyl hydrogen carbonate is O=C(O)OC(F)CCF.
What is the InChIKey of 1,3-difluoropropyl hydrogen carbonate?
The InChIKey is SELGQGZDYNFJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O3/c5-2-1-3(6)9-4(7)8/h3H,1-2H2,(H,7,8).
What are the key properties of 1,3-difluoropropyl hydrogen carbonate?
1,3-difluoropropyl hydrogen carbonate has a molecular weight of 140.08 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropyl hydrogen carbonate is sourced from PubChem (CID 54301400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).