(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone

C11H10ClF2NO — CID 82772045

IUPAC(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)c(Cl)cc1F)N1CCCC1
InChIInChI=1S/C11H10ClF2NO/c12-8-6-9(13)7(5-10(8)14)11(16)15-3-1-2-4-15/h5-6H,1-4H2
InChIKeyYDHNASISHVGLSP-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.85
Rot. Bonds1

About (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone

(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 82772045) has the molecular formula C11H10ClF2NO and a molecular weight of 245.66 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID82772045
Molecular FormulaC11H10ClF2NO
Molecular Weight245.66 g/mol
Exact Mass245.04
IUPAC Name(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)c(Cl)cc1F)N1CCCC1
InChIInChI=1S/C11H10ClF2NO/c12-8-6-9(13)7(5-10(8)14)11(16)15-3-1-2-4-15/h5-6H,1-4H2
InChIKeyYDHNASISHVGLSP-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82772050
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 82773087
[4-chloro-2-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]boronic acid
CID 164892386
[3-(2-aminoethyl)piperidin-1-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771490
3-amino-1-(4-chloro-2,5-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323452
(4-chloro-2,5-difluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 82771946
[2-(bromomethyl)morpholin-4-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771247
(2-fluoro-5-hydroxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 171906066
1-[1-(4-chloro-2,5-difluorobenzoyl)piperidin-2-yl]propan-2-one
CID 82772459

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone (CID 82772045) is (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(F)c(Cl)cc1F)N1CCCC1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is YDHNASISHVGLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO/c12-8-6-9(13)7(5-10(8)14)11(16)15-3-1-2-4-15/h5-6H,1-4H2.
What are the key properties of (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone?
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 245.66 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 82772045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).