(2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone

C18H17F2NO — CID 50747371

IUPAC(2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H17F2NO/c1-12-6-2-3-7-13(12)16-10-5-11-21(16)18(22)17-14(19)8-4-9-15(17)20/h2-4,6-9,16H,5,10-11H2,1H3
InChIKeyBBRSLTCCMVQNSR-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.25
Rot. Bonds2

About (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone

(2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747371) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID50747371
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H17F2NO/c1-12-6-2-3-7-13(12)16-10-5-11-21(16)18(22)17-14(19)8-4-9-15(17)20/h2-4,6-9,16H,5,10-11H2,1H3
InChIKeyBBRSLTCCMVQNSR-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 50747371) is (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccccc1C1CCCN1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is BBRSLTCCMVQNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c1-12-6-2-3-7-13(12)16-10-5-11-21(16)18(22)17-14(19)8-4-9-15(17)20/h2-4,6-9,16H,5,10-11H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
(2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 301.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).