(2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate

C11H13F3N2O4 — CID 123612673

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C(On1c(O)ccc1O)N1CCCCC1C(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)7-3-1-2-6-15(7)10(19)20-16-8(17)4-5-9(16)18/h4-5,7,17-18H,1-3,6H2
InChIKeyWEQFDQAMMXRIEC-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.86
Rot. Bonds1

About (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate

(2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 123612673) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID123612673
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C(On1c(O)ccc1O)N1CCCCC1C(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)7-3-1-2-6-15(7)10(19)20-16-8(17)4-5-9(16)18/h4-5,7,17-18H,1-3,6H2
InChIKeyWEQFDQAMMXRIEC-UHFFFAOYSA-N
XLogP1.86
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 54125299
(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate
CID 57044979
Tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate
CID 90757744
(2,5-dihydroxypyrrol-1-yl) N-heptyl-N-methylcarbamate
CID 90814586
(2,5-Dihydroxypyrrol-1-yl) 2-piperidin-1-ylacetate
CID 90991369
Tert-butyl 4-[(2,5-dihydroxypyrrol-1-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 91011088
1-O-tert-butyl 4-O-(2,5-dihydroxypyrrol-1-yl) piperazine-1,4-dicarboxylate
CID 91012295
5-[(2,5-Dihydroxypyrrol-1-yl)oxycarbonylamino]azonane-1-carboxylic acid
CID 91109459
4-[(2,5-Dihydroxypyrrol-1-yl)oxycarbonylamino]azocane-1-carboxylic acid
CID 91121450
(2,5-dihydroxypyrrol-1-yl) N-cycloheptylcarbamate
CID 91127286
(2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate
CID 91156992
(2,5-Dihydroxypyrrol-1-yl) 2-(2,6-dimethylpiperidin-1-yl)acetate
CID 91168756

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate (CID 123612673) is (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate is O=C(On1c(O)ccc1O)N1CCCCC1C(F)(F)F.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is WEQFDQAMMXRIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)7-3-1-2-6-15(7)10(19)20-16-8(17)4-5-9(16)18/h4-5,7,17-18H,1-3,6H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate?
(2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 294.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 123612673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).