(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one

C12H14FNO — CID 101455407

IUPAC(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one
SMILESCC[C@]1(F)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C12H14FNO/c1-2-12(13)9-14(11(12)15)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyAXLNXFYHGKJXJP-LBPRGKRZSA-N
MW207.25 g/mol
LogP2.15
Rot. Bonds3

About (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one

(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one (PubChem CID 101455407) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one
PubChem CID101455407
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one
SMILESCC[C@]1(F)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C12H14FNO/c1-2-12(13)9-14(11(12)15)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyAXLNXFYHGKJXJP-LBPRGKRZSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67974419
1,3-diethyl-3-phenylazetidin-2-one
CID 137321499
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 131329119
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
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CID 98042329
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one?
The IUPAC name of (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one (CID 101455407) is (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one is CC[C@]1(F)CN(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one?
The InChIKey is AXLNXFYHGKJXJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-12(13)9-14(11(12)15)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one?
(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one is sourced from PubChem (CID 101455407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).