2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate

C14H14FNO3 — CID 84602073

IUPAC2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCCOc1ccccc1F
InChIInChI=1S/C14H14FNO3/c1-16-8-4-6-12(16)14(17)19-10-9-18-13-7-3-2-5-11(13)15/h2-8H,9-10H2,1H3
InChIKeyABVOPVWRGCVLKB-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.40
Rot. Bonds5

About 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate

2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate (PubChem CID 84602073) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate
PubChem CID84602073
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCCOc1ccccc1F
InChIInChI=1S/C14H14FNO3/c1-16-8-4-6-12(16)14(17)19-10-9-18-13-7-3-2-5-11(13)15/h2-8H,9-10H2,1H3
InChIKeyABVOPVWRGCVLKB-UHFFFAOYSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
2-(3-methylphenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 55307618
2-(2-fluorophenoxy)ethyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486807
2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
CID 4804285
2-(2-fluorophenoxy)ethyl 3-methylbut-2-enoate
CID 78760883
2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide
CID 62033820
2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
CID 31149133
4-(2-fluorophenoxy)butan-2-one
CID 28948853
2-(2-fluorophenoxy)ethyl 2-(4-fluorophenyl)acetate
CID 78760245
(2-chloro-4-fluorophenyl)methyl 1-methylpyrrole-2-carboxylate
CID 55307502
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 7725840

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate (CID 84602073) is 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCCOc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate?
The InChIKey is ABVOPVWRGCVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-16-8-4-6-12(16)14(17)19-10-9-18-13-7-3-2-5-11(13)15/h2-8H,9-10H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate?
2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 84602073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).