(2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate

C7H8FNO5 — CID 123174397

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate
SMILESO=C(OCCF)On1c(O)ccc1O
InChIInChI=1S/C7H8FNO5/c8-3-4-13-7(12)14-9-5(10)1-2-6(9)11/h1-2,10-11H,3-4H2
InChIKeyRWDXTFSKVFPPTL-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.43
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate

(2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate (PubChem CID 123174397) has the molecular formula C7H8FNO5 and a molecular weight of 205.14 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate
PubChem CID123174397
Molecular FormulaC7H8FNO5
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate
SMILESO=C(OCCF)On1c(O)ccc1O
InChIInChI=1S/C7H8FNO5/c8-3-4-13-7(12)14-9-5(10)1-2-6(9)11/h1-2,10-11H,3-4H2
InChIKeyRWDXTFSKVFPPTL-UHFFFAOYSA-N
XLogP0.43
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate (CID 123174397) is (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate is O=C(OCCF)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate?
The InChIKey is RWDXTFSKVFPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO5/c8-3-4-13-7(12)14-9-5(10)1-2-6(9)11/h1-2,10-11H,3-4H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate?
(2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate has a molecular weight of 205.14 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-fluoroethyl carbonate is sourced from PubChem (CID 123174397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).