3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone

C13H20F2N2O — CID 145332295

IUPAC3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1C2CCC1CNC2
InChIInChI=1S/C13H20F2N2O/c14-13(15)5-3-9(4-6-13)12(18)17-10-1-2-11(17)8-16-7-10/h9-11,16H,1-8H2
InChIKeyJCGDXJPMFOKFIQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.77
Rot. Bonds1

About 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone

3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone (PubChem CID 145332295) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone
PubChem CID145332295
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1C2CCC1CNC2
InChIInChI=1S/C13H20F2N2O/c14-13(15)5-3-9(4-6-13)12(18)17-10-1-2-11(17)8-16-7-10/h9-11,16H,1-8H2
InChIKeyJCGDXJPMFOKFIQ-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone
CID 129269962
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone
CID 163646234
(3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 145332421
3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone
CID 175882005
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
CID 153292491
(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium
CID 153329504
2-[8-(azetidine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608795
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 69144531
cyclopropyl-[3-[(E)-3-imino-1-(1H-pyrrol-2-yl)prop-1-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone;1,1-difluorocyclopropane
CID 164572833
4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride
CID 155895977

Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone (CID 145332295) is 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone is O=C(C1CCC(F)(F)CC1)N1C2CCC1CNC2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone?
The InChIKey is JCGDXJPMFOKFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c14-13(15)5-3-9(4-6-13)12(18)17-10-1-2-11(17)8-16-7-10/h9-11,16H,1-8H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone?
3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone has a molecular weight of 258.31 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 145332295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).