1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile

C12H13FN2 — CID 117022442

IUPAC1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CCN1c1ccccc1F
InChIInChI=1S/C12H13FN2/c1-9-10(8-14)6-7-15(9)12-5-3-2-4-11(12)13/h2-5,9-10H,6-7H2,1H3
InChIKeyFSXNHUAFOXIIQM-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.56
Rot. Bonds1

About 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile

1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile (PubChem CID 117022442) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile
PubChem CID117022442
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CCN1c1ccccc1F
InChIInChI=1S/C12H13FN2/c1-9-10(8-14)6-7-15(9)12-5-3-2-4-11(12)13/h2-5,9-10H,6-7H2,1H3
InChIKeyFSXNHUAFOXIIQM-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile
CID 117022435
1-(2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397280
methyl 4-(3-cyano-2-methylpyrrolidin-1-yl)benzoate
CID 117022475
2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55387468
1,2-dimethylpyrrolidine-3-carbonitrile
CID 76609008
1-(2-fluorophenyl)-2-propylpyrrolidine
CID 67817363
2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 43291692
2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 117022412
1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407513
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
1-(2,3-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397318
1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
CID 117003363

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile?
The IUPAC name of 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile (CID 117022442) is 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile is CC1C(C#N)CCN1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile?
The InChIKey is FSXNHUAFOXIIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-9-10(8-14)6-7-15(9)12-5-3-2-4-11(12)13/h2-5,9-10H,6-7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile?
1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 117022442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).