(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone

C11H11ClFNO2 — CID 107677548

IUPAC(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1F)N1CCC(Cl)C1
InChIInChI=1S/C11H11ClFNO2/c12-7-3-4-14(6-7)11(16)9-2-1-8(15)5-10(9)13/h1-2,5,7,15H,3-4,6H2
InChIKeyUSQJIHBNLGJCJQ-UHFFFAOYSA-N
MW243.66 g/mol
LogP1.98
Rot. Bonds1

About (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone

(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone (PubChem CID 107677548) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
PubChem CID107677548
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1F)N1CCC(Cl)C1
InChIInChI=1S/C11H11ClFNO2/c12-7-3-4-14(6-7)11(16)9-2-1-8(15)5-10(9)13/h1-2,5,7,15H,3-4,6H2
InChIKeyUSQJIHBNLGJCJQ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 122561723
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873399
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(4-chloro-2-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482496
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107674300
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99928743
[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 138382958
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone (CID 107677548) is (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1F)N1CCC(Cl)C1.
What is the InChIKey of (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is USQJIHBNLGJCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-7-3-4-14(6-7)11(16)9-2-1-8(15)5-10(9)13/h1-2,5,7,15H,3-4,6H2.
What are the key properties of (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 243.66 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 107677548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).