[(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 10582877
[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 54244939
[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 164554356
8-(2-fluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130504670
2-butyl-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane
CID 168880753
[5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol
CID 169228003
tert-butyl 3-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 54775395
3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane
CID 168881501
[(1S,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 102488734
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 25324057
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane
CID 81113685

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).