[2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone

C11H15FN2O — CID 126767352

IUPAC[2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC2CF)c1
InChIInChI=1S/C11H15FN2O/c1-13-6-4-9(8-13)11(15)14-5-2-3-10(14)7-12/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyJPDPTIJDNCYRCR-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.60
Rot. Bonds2

About [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone

[2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone (PubChem CID 126767352) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
PubChem CID126767352
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name[2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC2CF)c1
InChIInChI=1S/C11H15FN2O/c1-13-6-4-9(8-13)11(15)14-5-2-3-10(14)7-12/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyJPDPTIJDNCYRCR-UHFFFAOYSA-N
XLogP1.60
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone (CID 126767352) is [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone is Cn1ccc(C(=O)N2CCCC2CF)c1.
What is the InChIKey of [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The InChIKey is JPDPTIJDNCYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-13-6-4-9(8-13)11(15)14-5-2-3-10(14)7-12/h4,6,8,10H,2-3,5,7H2,1H3.
What are the key properties of [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
[2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone has a molecular weight of 210.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 126767352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).