(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone

C11H11FINO — CID 155803238

IUPAC(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1I)N1CCCC1
InChIInChI=1S/C11H11FINO/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
InChIKeyKXMXNKYRMKFUQX-UHFFFAOYSA-N
MW319.12 g/mol
LogP2.67
Rot. Bonds1

About (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone

(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 155803238) has the molecular formula C11H11FINO and a molecular weight of 319.12 g/mol. Its IUPAC name is (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone
PubChem CID155803238
Molecular FormulaC11H11FINO
Molecular Weight319.12 g/mol
Exact Mass318.99
IUPAC Name(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1I)N1CCCC1
InChIInChI=1S/C11H11FINO/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
InChIKeyKXMXNKYRMKFUQX-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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

2-iodo-3-(pyrrolidine-1-carbonyl)benzoic acid
CID 169449836
(3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 75431268
(2-fluoro-3-iodophenyl)-pyrrolidin-1-ylmethanone
CID 164895955
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
CID 75433885
ethyl 2-iodo-3-(pyrrolidine-1-carbonyl)benzoate
CID 169449719
[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
(2,3-difluorophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 113234293

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone (CID 155803238) is (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone is O=C(c1cccc(F)c1I)N1CCCC1.
What is the InChIKey of (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is KXMXNKYRMKFUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FINO/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2.
What are the key properties of (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone?
(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 319.12 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155803238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).