3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol

C10H19FN2O — CID 134820979

IUPAC3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
SMILESOCCCN1C[C@@H]2C[C@H]1CN2CCF
InChIInChI=1S/C10H19FN2O/c11-2-4-13-8-9-6-10(13)7-12(9)3-1-5-14/h9-10,14H,1-8H2/t9-,10-/m0/s1
InChIKeyHZTXNSZUSXDQSI-UWVGGRQHSA-N
MW202.27 g/mol
LogP0.10
Rot. Bonds5

About 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol

3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol (PubChem CID 134820979) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
PubChem CID134820979
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
SMILESOCCCN1C[C@@H]2C[C@H]1CN2CCF
InChIInChI=1S/C10H19FN2O/c11-2-4-13-8-9-6-10(13)7-12(9)3-1-5-14/h9-10,14H,1-8H2/t9-,10-/m0/s1
InChIKeyHZTXNSZUSXDQSI-UWVGGRQHSA-N
XLogP0.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol with MolForge

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Related Compounds

tert-butyl (1S,4S)-5-(3-hydroxypropyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 177249789
3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol
CID 13177210
2-(4-chlorophenyl)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 167196737
2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 176615945
5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol
CID 62228228
(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane
CID 146942444
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
CID 130686554
2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 130543722
3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 43430768
3-[2-(fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67281164

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol?
The IUPAC name of 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol (CID 134820979) is 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol is OCCCN1C[C@@H]2C[C@H]1CN2CCF.
What is the InChIKey of 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol?
The InChIKey is HZTXNSZUSXDQSI-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19FN2O/c11-2-4-13-8-9-6-10(13)7-12(9)3-1-5-14/h9-10,14H,1-8H2/t9-,10-/m0/s1.
What are the key properties of 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol?
3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol has a molecular weight of 202.27 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol is sourced from PubChem (CID 134820979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).