(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone

C11H11ClFNO — CID 116916892

IUPAC(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)C1CCNC1
InChIInChI=1S/C11H11ClFNO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2
InChIKeyVQOFKLPHWXTCQZ-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.27
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone

(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone (PubChem CID 116916892) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
PubChem CID116916892
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)C1CCNC1
InChIInChI=1S/C11H11ClFNO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2
InChIKeyVQOFKLPHWXTCQZ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
(2-chloro-3-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 90038201
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone (CID 116916892) is (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone is O=C(c1cc(Cl)ccc1F)C1CCNC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is VQOFKLPHWXTCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-8-1-2-10(13)9(5-8)11(15)7-3-4-14-6-7/h1-2,5,7,14H,3-4,6H2.
What are the key properties of (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone?
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 227.67 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116916892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).