(2S,3R)-2-benzyl-3-fluoroazetidine

C10H12FN — CID 118903406

IUPAC(2S,3R)-2-benzyl-3-fluoroazetidine
SMILESF[C@@H]1CN[C@H]1Cc1ccccc1
InChIInChI=1S/C10H12FN/c11-9-7-12-10(9)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m1/s1
InChIKeyZCDNEOGNWXHQNY-ZJUUUORDSA-N
MW165.21 g/mol
LogP1.54
Rot. Bonds2

About (2S,3R)-2-benzyl-3-fluoroazetidine

(2S,3R)-2-benzyl-3-fluoroazetidine (PubChem CID 118903406) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-3-fluoroazetidine.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-3-fluoroazetidine
PubChem CID118903406
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(2S,3R)-2-benzyl-3-fluoroazetidine
SMILESF[C@@H]1CN[C@H]1Cc1ccccc1
InChIInChI=1S/C10H12FN/c11-9-7-12-10(9)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m1/s1
InChIKeyZCDNEOGNWXHQNY-ZJUUUORDSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-3-fluoroazetidine?
The IUPAC name of (2S,3R)-2-benzyl-3-fluoroazetidine (CID 118903406) is (2S,3R)-2-benzyl-3-fluoroazetidine.
What is the SMILES notation for (2S,3R)-2-benzyl-3-fluoroazetidine?
The canonical SMILES for (2S,3R)-2-benzyl-3-fluoroazetidine is F[C@@H]1CN[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-3-fluoroazetidine?
The InChIKey is ZCDNEOGNWXHQNY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H12FN/c11-9-7-12-10(9)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-benzyl-3-fluoroazetidine?
(2S,3R)-2-benzyl-3-fluoroazetidine has a molecular weight of 165.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-3-fluoroazetidine is sourced from PubChem (CID 118903406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).