1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone

C14H16F2N2O — CID 131687605

IUPAC1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CC2CCC(C1)C2(F)F
InChIInChI=1S/C14H16F2N2O/c15-14(16)10-4-5-11(14)9-18(8-10)13(19)7-12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9H2
InChIKeyYKOMRZHJTRUWFG-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.13
Rot. Bonds2

About 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone

1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone (PubChem CID 131687605) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
PubChem CID131687605
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CC2CCC(C1)C2(F)F
InChIInChI=1S/C14H16F2N2O/c15-14(16)10-4-5-11(14)9-18(8-10)13(19)7-12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9H2
InChIKeyYKOMRZHJTRUWFG-UHFFFAOYSA-N
XLogP2.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone (CID 131687605) is 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CC2CCC(C1)C2(F)F.
What is the InChIKey of 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone?
The InChIKey is YKOMRZHJTRUWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-14(16)10-4-5-11(14)9-18(8-10)13(19)7-12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9H2.
What are the key properties of 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone?
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone has a molecular weight of 266.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 131687605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).