(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C15H18F2N2O — CID 62274583

IUPAC(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC1C1CCCN1
InChIInChI=1S/C15H18F2N2O/c16-10-4-1-5-11(17)14(10)15(20)19-9-3-7-13(19)12-6-2-8-18-12/h1,4-5,12-13,18H,2-3,6-9H2
InChIKeyMIPFKHUNRKHVTN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.32
Rot. Bonds2

About (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 62274583) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID62274583
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC1C1CCCN1
InChIInChI=1S/C15H18F2N2O/c16-10-4-1-5-11(17)14(10)15(20)19-9-3-7-13(19)12-6-2-8-18-12/h1,4-5,12-13,18H,2-3,6-9H2
InChIKeyMIPFKHUNRKHVTN-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 62274583) is (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is O=C(c1c(F)cccc1F)N1CCCC1C1CCCN1.
What is the InChIKey of (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is MIPFKHUNRKHVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-10-4-1-5-11(17)14(10)15(20)19-9-3-7-13(19)12-6-2-8-18-12/h1,4-5,12-13,18H,2-3,6-9H2.
What are the key properties of (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 280.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62274583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).