(3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C13H20F2N2O — CID 145332421

IUPAC(3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C13H20F2N2O/c1-16-7-10-2-3-11(8-16)17(10)12(18)9-4-5-13(14,15)6-9/h9-11H,2-8H2,1H3
InChIKeyKBGQNTKHCAHOPK-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.73
Rot. Bonds1

About (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

(3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 145332421) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID145332421
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name(3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C13H20F2N2O/c1-16-7-10-2-3-11(8-16)17(10)12(18)9-4-5-13(14,15)6-9/h9-11H,2-8H2,1H3
InChIKeyKBGQNTKHCAHOPK-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 145332421) is (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CN1CC2CCC(C1)N2C(=O)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is KBGQNTKHCAHOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-16-7-10-2-3-11(8-16)17(10)12(18)9-4-5-13(14,15)6-9/h9-11H,2-8H2,1H3.
What are the key properties of (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
(3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 258.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 145332421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).