(2-fluorocyclopropyl) hydrogen carbonate

C4H5FO3 — CID 22435345

IUPAC(2-fluorocyclopropyl) hydrogen carbonate
SMILESO=C(O)OC1CC1F
InChIInChI=1S/C4H5FO3/c5-2-1-3(2)8-4(6)7/h2-3H,1H2,(H,6,7)
InChIKeyCHNBDZRFQRWTFZ-UHFFFAOYSA-N
MW120.08 g/mol
LogP0.79
Rot. Bonds1

About (2-fluorocyclopropyl) hydrogen carbonate

(2-fluorocyclopropyl) hydrogen carbonate (PubChem CID 22435345) has the molecular formula C4H5FO3 and a molecular weight of 120.08 g/mol. Its IUPAC name is (2-fluorocyclopropyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-fluorocyclopropyl) hydrogen carbonate
PubChem CID22435345
Molecular FormulaC4H5FO3
Molecular Weight120.08 g/mol
Exact Mass120.02
IUPAC Name(2-fluorocyclopropyl) hydrogen carbonate
SMILESO=C(O)OC1CC1F
InChIInChI=1S/C4H5FO3/c5-2-1-3(2)8-4(6)7/h2-3H,1H2,(H,6,7)
InChIKeyCHNBDZRFQRWTFZ-UHFFFAOYSA-N
XLogP0.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclopropyl) hydrogen carbonate?
The IUPAC name of (2-fluorocyclopropyl) hydrogen carbonate (CID 22435345) is (2-fluorocyclopropyl) hydrogen carbonate.
What is the SMILES notation for (2-fluorocyclopropyl) hydrogen carbonate?
The canonical SMILES for (2-fluorocyclopropyl) hydrogen carbonate is O=C(O)OC1CC1F.
What is the InChIKey of (2-fluorocyclopropyl) hydrogen carbonate?
The InChIKey is CHNBDZRFQRWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3/c5-2-1-3(2)8-4(6)7/h2-3H,1H2,(H,6,7).
What are the key properties of (2-fluorocyclopropyl) hydrogen carbonate?
(2-fluorocyclopropyl) hydrogen carbonate has a molecular weight of 120.08 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopropyl) hydrogen carbonate is sourced from PubChem (CID 22435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).