(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H11ClFNO2 — CID 62916558

IUPAC(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(O)C1
InChIInChI=1S/C11H11ClFNO2/c12-10-5-7(13)1-2-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2
InChIKeyGZXVAVDTJAANME-UHFFFAOYSA-N
MW243.66 g/mol
LogP1.69
Rot. Bonds1

About (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62916558) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62916558
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(O)C1
InChIInChI=1S/C11H11ClFNO2/c12-10-5-7(13)1-2-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2
InChIKeyGZXVAVDTJAANME-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 126805764
(2-chloro-4-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638995
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671
(2-chloro-4-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130954
4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910199
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62916558) is (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1ccc(F)cc1Cl)N1CCC(O)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is GZXVAVDTJAANME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-10-5-7(13)1-2-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 243.66 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62916558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).