(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C15H18F2N2O — CID 75977527

IUPAC(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H18F2N2O/c16-11-3-4-14(17)13(9-11)15(20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2
InChIKeyLBXSERHUCIEDPG-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.28
Rot. Bonds2

About (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 75977527) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID75977527
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H18F2N2O/c16-11-3-4-14(17)13(9-11)15(20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2
InChIKeyLBXSERHUCIEDPG-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,4-difluorophenyl)methanone
CID 45147487
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63167995
[3-(bromomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
CID 80667046
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(3-chloro-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102961379
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,5-difluorophenyl)methanone
CID 81483822
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
2-(2,4-difluorophenyl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 97051443
2-(2,4-difluorophenyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 86284380
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 172910380
(3-bromo-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102962015

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 75977527) is (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1cc(F)ccc1F)N1CCC(N2CCCC2)C1.
What is the InChIKey of (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is LBXSERHUCIEDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-11-3-4-14(17)13(9-11)15(20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2.
What are the key properties of (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 280.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 75977527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).