(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone

C11H11ClFNO — CID 105396376

IUPAC(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1cc(F)ccc1Cl)C1CCCN1
InChIInChI=1S/C11H11ClFNO/c12-9-4-3-7(13)6-8(9)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2
InChIKeyNUJYSDPPGRDSTH-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.41
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone

(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone (PubChem CID 105396376) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
PubChem CID105396376
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1cc(F)ccc1Cl)C1CCCN1
InChIInChI=1S/C11H11ClFNO/c12-9-4-3-7(13)6-8(9)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2
InChIKeyNUJYSDPPGRDSTH-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 82551437
(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 90039264
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765688
[2-chloro-4,5-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82551487
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-piperidin-2-ylmethanone
CID 64865742
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 146156641
(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate
CID 94259086

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone (CID 105396376) is (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone is O=C(c1cc(F)ccc1Cl)C1CCCN1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is NUJYSDPPGRDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-9-4-3-7(13)6-8(9)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2.
What are the key properties of (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone?
(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 227.67 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 105396376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).