(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone

C13H16FNO — CID 62512522

IUPAC(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(C)C2)c1
InChIInChI=1S/C13H16FNO/c1-9-3-4-12(14)11(7-9)13(16)15-6-5-10(2)8-15/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyBPVIAWBUQLXWBF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.62
Rot. Bonds1

About (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone

(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 62512522) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID62512522
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(C)C2)c1
InChIInChI=1S/C13H16FNO/c1-9-3-4-12(14)11(7-9)13(16)15-6-5-10(2)8-15/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyBPVIAWBUQLXWBF-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
(2-fluoro-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426729
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
1-(2-fluoro-5-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038997
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
(2-fluoro-5-methylphenyl)-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methanone
CID 84596797
(8aS)-7-(2-fluoro-5-methylbenzoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 164631190

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 62512522) is (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone is Cc1ccc(F)c(C(=O)N2CCC(C)C2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is BPVIAWBUQLXWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-3-4-12(14)11(7-9)13(16)15-6-5-10(2)8-15/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 221.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62512522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).