(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone

C12H13ClFNO — CID 61146717

IUPAC(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO/c1-8-3-2-6-15(8)12(16)10-7-9(13)4-5-11(10)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVUHIRRGVPJXUBJ-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.10
Rot. Bonds1

About (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 61146717) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID61146717
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO/c1-8-3-2-6-15(8)12(16)10-7-9(13)4-5-11(10)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVUHIRRGVPJXUBJ-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 54882876
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 60815500
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone (CID 61146717) is (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is VUHIRRGVPJXUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-8-3-2-6-15(8)12(16)10-7-9(13)4-5-11(10)14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 241.69 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61146717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).