4-fluoropentyl 1H-pyrrole-2-carboxylate

C10H14FNO2 — CID 138725762

IUPAC4-fluoropentyl 1H-pyrrole-2-carboxylate
SMILESCC(F)CCCOC(=O)c1ccc[nH]1
InChIInChI=1S/C10H14FNO2/c1-8(11)4-3-7-14-10(13)9-5-2-6-12-9/h2,5-6,8,12H,3-4,7H2,1H3
InChIKeyJAEDFQRQEVULTJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.31
Rot. Bonds5

About 4-fluoropentyl 1H-pyrrole-2-carboxylate

4-fluoropentyl 1H-pyrrole-2-carboxylate (PubChem CID 138725762) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-fluoropentyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name4-fluoropentyl 1H-pyrrole-2-carboxylate
PubChem CID138725762
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name4-fluoropentyl 1H-pyrrole-2-carboxylate
SMILESCC(F)CCCOC(=O)c1ccc[nH]1
InChIInChI=1S/C10H14FNO2/c1-8(11)4-3-7-14-10(13)9-5-2-6-12-9/h2,5-6,8,12H,3-4,7H2,1H3
InChIKeyJAEDFQRQEVULTJ-UHFFFAOYSA-N
XLogP2.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoropentyl 1H-pyrrole-2-carboxylate?
The IUPAC name of 4-fluoropentyl 1H-pyrrole-2-carboxylate (CID 138725762) is 4-fluoropentyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for 4-fluoropentyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for 4-fluoropentyl 1H-pyrrole-2-carboxylate is CC(F)CCCOC(=O)c1ccc[nH]1.
What is the InChIKey of 4-fluoropentyl 1H-pyrrole-2-carboxylate?
The InChIKey is JAEDFQRQEVULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-8(11)4-3-7-14-10(13)9-5-2-6-12-9/h2,5-6,8,12H,3-4,7H2,1H3.
What are the key properties of 4-fluoropentyl 1H-pyrrole-2-carboxylate?
4-fluoropentyl 1H-pyrrole-2-carboxylate has a molecular weight of 199.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropentyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 138725762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).