2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile

C11H12FN3 — CID 121209842

IUPAC2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(c1ccccc1F)N1CC(N)C1
InChIInChI=1S/C11H12FN3/c12-10-4-2-1-3-9(10)11(5-13)15-6-8(14)7-15/h1-4,8,11H,6-7,14H2
InChIKeyXBVOGWHUPFBICL-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.03
Rot. Bonds2

About 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile

2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile (PubChem CID 121209842) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile
PubChem CID121209842
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(c1ccccc1F)N1CC(N)C1
InChIInChI=1S/C11H12FN3/c12-10-4-2-1-3-9(10)11(5-13)15-6-8(14)7-15/h1-4,8,11H,6-7,14H2
InChIKeyXBVOGWHUPFBICL-UHFFFAOYSA-N
XLogP1.03
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
CID 45261443
2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile
CID 84757087
2-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
CID 84756598
ethyl 1-[cyano-(2-fluorophenyl)methyl]piperidine-4-carboxylate
CID 84756740
2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 110349512
2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
CID 84756586
2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile
CID 63667086
2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110349546
2-fluoro-2-(2-fluorophenyl)acetonitrile
CID 53400325
2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile
CID 121209820
2-(2-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349514
2-(2-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349545

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile (CID 121209842) is 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile is N#CC(c1ccccc1F)N1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile?
The InChIKey is XBVOGWHUPFBICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-4-2-1-3-9(10)11(5-13)15-6-8(14)7-15/h1-4,8,11H,6-7,14H2.
What are the key properties of 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile?
2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile has a molecular weight of 205.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile is sourced from PubChem (CID 121209842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).