(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone

C12H13ClFNO — CID 116592268

IUPAC(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H13ClFNO/c1-7-9(4-5-15-7)12(16)10-3-2-8(13)6-11(10)14/h2-3,6-7,9,15H,4-5H2,1H3
InChIKeyGFPPMLFYRIAZNK-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.66
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone

(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 116592268) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone
PubChem CID116592268
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H13ClFNO/c1-7-9(4-5-15-7)12(16)10-3-2-8(13)6-11(10)14/h2-3,6-7,9,15H,4-5H2,1H3
InChIKeyGFPPMLFYRIAZNK-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592208
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 64739429
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
(3-fluoro-5-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592049
1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
CID 23048180
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388766
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone (CID 116592268) is (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is GFPPMLFYRIAZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-7-9(4-5-15-7)12(16)10-3-2-8(13)6-11(10)14/h2-3,6-7,9,15H,4-5H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone?
(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 241.69 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116592268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).