(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone

C11H11FINO — CID 170122418

IUPAC(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCC(F)C1
InChIInChI=1S/C11H11FINO/c12-9-5-6-14(7-9)11(15)8-1-3-10(13)4-2-8/h1-4,9H,5-7H2
InChIKeyWXYMKUBOUKQYRX-UHFFFAOYSA-N
MW319.12 g/mol
LogP2.48
Rot. Bonds1

About (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone

(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone (PubChem CID 170122418) has the molecular formula C11H11FINO and a molecular weight of 319.12 g/mol. Its IUPAC name is (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
PubChem CID170122418
Molecular FormulaC11H11FINO
Molecular Weight319.12 g/mol
Exact Mass318.99
IUPAC Name(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCC(F)C1
InChIInChI=1S/C11H11FINO/c12-9-5-6-14(7-9)11(15)8-1-3-10(13)4-2-8/h1-4,9H,5-7H2
InChIKeyWXYMKUBOUKQYRX-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 153381353
(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63524427
methyl 1-(4-iodobenzoyl)pyrrolidine-3-carboxylate
CID 47340248
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
[(3S)-4-(4-iodobenzoyl)-3-methylpiperazin-1-yl]-(4-iodophenyl)methanone
CID 98089596
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
[3-(chloromethyl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 55187608

Frequently Asked Questions

What is the IUPAC name of (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone?
The IUPAC name of (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone (CID 170122418) is (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)N1CCC(F)C1.
What is the InChIKey of (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone?
The InChIKey is WXYMKUBOUKQYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FINO/c12-9-5-6-14(7-9)11(15)8-1-3-10(13)4-2-8/h1-4,9H,5-7H2.
What are the key properties of (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone?
(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone has a molecular weight of 319.12 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 170122418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).