3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol

C8H14FNO — CID 118940547

IUPAC3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILESCN1C2CC(CC2O)C1CF
InChIInChI=1S/C8H14FNO/c1-10-6-2-5(3-8(6)11)7(10)4-9/h5-8,11H,2-4H2,1H3
InChIKeyCXQRBMWCMNKBNH-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.41
Rot. Bonds1

About 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol

3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 118940547) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID118940547
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILESCN1C2CC(CC2O)C1CF
InChIInChI=1S/C8H14FNO/c1-10-6-2-5(3-8(6)11)7(10)4-9/h5-8,11H,2-4H2,1H3
InChIKeyCXQRBMWCMNKBNH-UHFFFAOYSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol (CID 118940547) is 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol is CN1C2CC(CC2O)C1CF.
What is the InChIKey of 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is CXQRBMWCMNKBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-10-6-2-5(3-8(6)11)7(10)4-9/h5-8,11H,2-4H2,1H3.
What are the key properties of 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol has a molecular weight of 159.20 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 118940547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).