4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol

C6H10FNO — CID 138958561

IUPAC4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol
SMILESOC1CN2CCC1(F)C2
InChIInChI=1S/C6H10FNO/c7-6-1-2-8(4-6)3-5(6)9/h5,9H,1-4H2
InChIKeyBASJZYVKEZGKFO-UHFFFAOYSA-N
MW131.15 g/mol
LogP-0.23
Rot. Bonds

About 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol

4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol (PubChem CID 138958561) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol.

Molecular Properties

Compound Name4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol
PubChem CID138958561
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol
SMILESOC1CN2CCC1(F)C2
InChIInChI=1S/C6H10FNO/c7-6-1-2-8(4-6)3-5(6)9/h5,9H,1-4H2
InChIKeyBASJZYVKEZGKFO-UHFFFAOYSA-N
XLogP-0.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol?
The IUPAC name of 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol (CID 138958561) is 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol.
What is the SMILES notation for 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol?
The canonical SMILES for 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol is OC1CN2CCC1(F)C2.
What is the InChIKey of 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol?
The InChIKey is BASJZYVKEZGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-6-1-2-8(4-6)3-5(6)9/h5,9H,1-4H2.
What are the key properties of 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol?
4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol has a molecular weight of 131.15 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-azabicyclo[2.2.1]heptan-3-ol is sourced from PubChem (CID 138958561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).