(2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate

C8H8F3NO5 — CID 123583646

IUPAC(2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate
SMILESO=C(OCCC(F)(F)F)On1c(O)ccc1O
InChIInChI=1S/C8H8F3NO5/c9-8(10,11)3-4-16-7(15)17-12-5(13)1-2-6(12)14/h1-2,13-14H,3-4H2
InChIKeyAKTWRTBPGUDNAA-UHFFFAOYSA-N
MW255.15 g/mol
LogP1.42
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate

(2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate (PubChem CID 123583646) has the molecular formula C8H8F3NO5 and a molecular weight of 255.15 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate
PubChem CID123583646
Molecular FormulaC8H8F3NO5
Molecular Weight255.15 g/mol
Exact Mass255.04
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate
SMILESO=C(OCCC(F)(F)F)On1c(O)ccc1O
InChIInChI=1S/C8H8F3NO5/c9-8(10,11)3-4-16-7(15)17-12-5(13)1-2-6(12)14/h1-2,13-14H,3-4H2
InChIKeyAKTWRTBPGUDNAA-UHFFFAOYSA-N
XLogP1.42
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
(2,5-Dihydroxypyrrol-1-yl) 2-methylprop-2-enoate
CID 54196822
(2,5-Dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
CID 54220759
(2,5-Dihydroxypyrrol-1-yl) 2-iodoacetate
CID 54322694
(2,5-Dihydroxypyrrol-1-yl) formate
CID 54439148

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate (CID 123583646) is (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate is O=C(OCCC(F)(F)F)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate?
The InChIKey is AKTWRTBPGUDNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO5/c9-8(10,11)3-4-16-7(15)17-12-5(13)1-2-6(12)14/h1-2,13-14H,3-4H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate?
(2,5-dihydroxypyrrol-1-yl) 3,3,3-trifluoropropyl carbonate has a molecular weight of 255.15 g/mol, XLogP of 1.42, 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) 3,3,3-trifluoropropyl carbonate is sourced from PubChem (CID 123583646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).