(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone

C12H13ClFNO — CID 61224266

IUPAC(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C12H13ClFNO/c1-8-4-5-15(7-8)12(16)10-6-9(13)2-3-11(10)14/h2-3,6,8H,4-5,7H2,1H3
InChIKeyUEXLIWMAXCMOLS-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.96
Rot. Bonds1

About (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 61224266) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID61224266
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C12H13ClFNO/c1-8-4-5-15(7-8)12(16)10-6-9(13)2-3-11(10)14/h2-3,6,8H,4-5,7H2,1H3
InChIKeyUEXLIWMAXCMOLS-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 113415072
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 61224486
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 61224266) is (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is UEXLIWMAXCMOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-8-4-5-15(7-8)12(16)10-6-9(13)2-3-11(10)14/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 241.69 g/mol, XLogP of 2.96, 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)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61224266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).