(4-fluorophenyl) 1H-pyrrole-2-carboxylate

C11H8FNO2 — CID 137320425

IUPAC(4-fluorophenyl) 1H-pyrrole-2-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1ccc[nH]1
InChIInChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)15-11(14)10-2-1-7-13-10/h1-7,13H
InChIKeyZAVDPBPTSMJZJK-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.37
Rot. Bonds2

About (4-fluorophenyl) 1H-pyrrole-2-carboxylate

(4-fluorophenyl) 1H-pyrrole-2-carboxylate (PubChem CID 137320425) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is (4-fluorophenyl) 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 1H-pyrrole-2-carboxylate
PubChem CID137320425
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name(4-fluorophenyl) 1H-pyrrole-2-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1ccc[nH]1
InChIInChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)15-11(14)10-2-1-7-13-10/h1-7,13H
InChIKeyZAVDPBPTSMJZJK-UHFFFAOYSA-N
XLogP2.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
(2-methylsulfonylphenyl) 1H-pyrrole-2-carboxylate
CID 174926523
(2,3,4,5,6-pentafluorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 8549709
N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210699
(4-fluorophenyl) phenyl carbonate
CID 555788
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
2-(4-fluorophenoxy)-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 110804461
(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate
CID 2339044
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 1H-pyrrole-2-carboxylate?
The IUPAC name of (4-fluorophenyl) 1H-pyrrole-2-carboxylate (CID 137320425) is (4-fluorophenyl) 1H-pyrrole-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 1H-pyrrole-2-carboxylate?
The canonical SMILES for (4-fluorophenyl) 1H-pyrrole-2-carboxylate is O=C(Oc1ccc(F)cc1)c1ccc[nH]1.
What is the InChIKey of (4-fluorophenyl) 1H-pyrrole-2-carboxylate?
The InChIKey is ZAVDPBPTSMJZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)15-11(14)10-2-1-7-13-10/h1-7,13H.
What are the key properties of (4-fluorophenyl) 1H-pyrrole-2-carboxylate?
(4-fluorophenyl) 1H-pyrrole-2-carboxylate has a molecular weight of 205.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 137320425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).