2-fluoro-1-azabicyclo[1.1.1]pentane

C4H6FN — CID 175577171

IUPAC2-fluoro-1-azabicyclo[1.1.1]pentane
SMILESFC1C2CN1C2
InChIInChI=1S/C4H6FN/c5-4-3-1-6(4)2-3/h3-4H,1-2H2
InChIKeyKEJJOTPAORXIKP-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.23
Rot. Bonds

About 2-fluoro-1-azabicyclo[1.1.1]pentane

2-fluoro-1-azabicyclo[1.1.1]pentane (PubChem CID 175577171) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 2-fluoro-1-azabicyclo[1.1.1]pentane.

Molecular Properties

Compound Name2-fluoro-1-azabicyclo[1.1.1]pentane
PubChem CID175577171
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name2-fluoro-1-azabicyclo[1.1.1]pentane
SMILESFC1C2CN1C2
InChIInChI=1S/C4H6FN/c5-4-3-1-6(4)2-3/h3-4H,1-2H2
InChIKeyKEJJOTPAORXIKP-UHFFFAOYSA-N
XLogP0.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 70347983
(3R,4R)-3,4-difluoro-1-methanidylpyrrolidine
CID 123412540
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
(1R,5R)-3-cyclopropyl-3-azabicyclo[3.2.1]octan-8-ol
CID 98113620
3-cyclohexyl-3-azabicyclo[3.1.0]hexane
CID 142330158
3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
CID 123275553
1-azabicyclo[3.1.1]heptane-6-carboxamide
CID 126485444
3-fluoro-1-azabicyclo[3.2.0]heptane
CID 168880868
3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 47003630
(3S,5S)-3-fluoro-5-iodopiperidin-1-amine
CID 155111181

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-azabicyclo[1.1.1]pentane?
The IUPAC name of 2-fluoro-1-azabicyclo[1.1.1]pentane (CID 175577171) is 2-fluoro-1-azabicyclo[1.1.1]pentane.
What is the SMILES notation for 2-fluoro-1-azabicyclo[1.1.1]pentane?
The canonical SMILES for 2-fluoro-1-azabicyclo[1.1.1]pentane is FC1C2CN1C2.
What is the InChIKey of 2-fluoro-1-azabicyclo[1.1.1]pentane?
The InChIKey is KEJJOTPAORXIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c5-4-3-1-6(4)2-3/h3-4H,1-2H2.
What are the key properties of 2-fluoro-1-azabicyclo[1.1.1]pentane?
2-fluoro-1-azabicyclo[1.1.1]pentane has a molecular weight of 87.10 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-azabicyclo[1.1.1]pentane is sourced from PubChem (CID 175577171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).