[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol

C9H16FNO — CID 154990503

IUPAC[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOCC1[C@@H]2CC[C@@H](C2)N1CCF
InChIInChI=1S/C9H16FNO/c10-3-4-11-8-2-1-7(5-8)9(11)6-12/h7-9,12H,1-6H2/t7-,8+,9?/m1/s1
InChIKeyCUCDYIPRVFZEIU-WGTSGOJVSA-N
MW173.23 g/mol
LogP0.80
Rot. Bonds3

About [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol

[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol (PubChem CID 154990503) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
PubChem CID154990503
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOCC1[C@@H]2CC[C@@H](C2)N1CCF
InChIInChI=1S/C9H16FNO/c10-3-4-11-8-2-1-7(5-8)9(11)6-12/h7-9,12H,1-6H2/t7-,8+,9?/m1/s1
InChIKeyCUCDYIPRVFZEIU-WGTSGOJVSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The IUPAC name of [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol (CID 154990503) is [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The canonical SMILES for [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol is OCC1[C@@H]2CC[C@@H](C2)N1CCF.
What is the InChIKey of [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The InChIKey is CUCDYIPRVFZEIU-WGTSGOJVSA-N. The full InChI is InChI=1S/C9H16FNO/c10-3-4-11-8-2-1-7(5-8)9(11)6-12/h7-9,12H,1-6H2/t7-,8+,9?/m1/s1.
What are the key properties of [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol has a molecular weight of 173.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol is sourced from PubChem (CID 154990503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).