4-fluorobicyclo[2.2.2]octane-1-carboxamide

C9H14FNO — CID 12765159

IUPAC4-fluorobicyclo[2.2.2]octane-1-carboxamide
SMILESNC(=O)C12CCC(F)(CC1)CC2
InChIInChI=1S/C9H14FNO/c10-9-4-1-8(2-5-9,3-6-9)7(11)12/h1-6H2,(H2,11,12)
InChIKeyDUZSOVAZNVTZHO-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.53
Rot. Bonds1

About 4-fluorobicyclo[2.2.2]octane-1-carboxamide

4-fluorobicyclo[2.2.2]octane-1-carboxamide (PubChem CID 12765159) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 4-fluorobicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound Name4-fluorobicyclo[2.2.2]octane-1-carboxamide
PubChem CID12765159
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name4-fluorobicyclo[2.2.2]octane-1-carboxamide
SMILESNC(=O)C12CCC(F)(CC1)CC2
InChIInChI=1S/C9H14FNO/c10-9-4-1-8(2-5-9,3-6-9)7(11)12/h1-6H2,(H2,11,12)
InChIKeyDUZSOVAZNVTZHO-UHFFFAOYSA-N
XLogP1.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of 4-fluorobicyclo[2.2.2]octane-1-carboxamide (CID 12765159) is 4-fluorobicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for 4-fluorobicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for 4-fluorobicyclo[2.2.2]octane-1-carboxamide is NC(=O)C12CCC(F)(CC1)CC2.
What is the InChIKey of 4-fluorobicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is DUZSOVAZNVTZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-9-4-1-8(2-5-9,3-6-9)7(11)12/h1-6H2,(H2,11,12).
What are the key properties of 4-fluorobicyclo[2.2.2]octane-1-carboxamide?
4-fluorobicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 171.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 12765159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).