(2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate

C13H10F3NO5 — CID 91510245

IUPAC(2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)On1c(O)ccc1O
InChIInChI=1S/C13H10F3NO5/c14-13(15,16)9-3-1-8(2-4-9)7-21-12(20)22-17-10(18)5-6-11(17)19/h1-6,18-19H,7H2
InChIKeyQWFLZFKNQHWIID-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.68
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate

(2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate (PubChem CID 91510245) has the molecular formula C13H10F3NO5 and a molecular weight of 317.22 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate
PubChem CID91510245
Molecular FormulaC13H10F3NO5
Molecular Weight317.22 g/mol
Exact Mass317.05
IUPAC Name(2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)On1c(O)ccc1O
InChIInChI=1S/C13H10F3NO5/c14-13(15,16)9-3-1-8(2-4-9)7-21-12(20)22-17-10(18)5-6-11(17)19/h1-6,18-19H,7H2
InChIKeyQWFLZFKNQHWIID-UHFFFAOYSA-N
XLogP2.68
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate (CID 91510245) is (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate is O=C(OCc1ccc(C(F)(F)F)cc1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate?
The InChIKey is QWFLZFKNQHWIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO5/c14-13(15,16)9-3-1-8(2-4-9)7-21-12(20)22-17-10(18)5-6-11(17)19/h1-6,18-19H,7H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate?
(2,5-dihydroxypyrrol-1-yl) [4-(trifluoromethyl)phenyl]methyl carbonate has a molecular weight of 317.22 g/mol, XLogP of 2.68, 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) [4-(trifluoromethyl)phenyl]methyl carbonate is sourced from PubChem (CID 91510245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).