8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one

C10H14F3NO — CID 63227669

IUPAC8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CCC(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)3-4-14-7-1-2-8(14)6-9(15)5-7/h7-8H,1-6H2
InChIKeyQMDWPFRCRNOCAF-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.13
Rot. Bonds2

About 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one

8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 63227669) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID63227669
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CCC(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)3-4-14-7-1-2-8(14)6-9(15)5-7/h7-8H,1-6H2
InChIKeyQMDWPFRCRNOCAF-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one (CID 63227669) is 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2CCC(F)(F)F.
What is the InChIKey of 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is QMDWPFRCRNOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)3-4-14-7-1-2-8(14)6-9(15)5-7/h7-8H,1-6H2.
What are the key properties of 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 221.22 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 8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 63227669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).