(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone

C12H21FN2O — CID 118444517

IUPAC(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@]1(C)CCN(C(=O)C2(F)CNC2)C1
InChIInChI=1S/C12H21FN2O/c1-9(2)11(3)4-5-15(8-11)10(16)12(13)6-14-7-12/h9,14H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyCNACHGRKDUBLIU-NSHDSACASA-N
MW228.31 g/mol
LogP1.19
Rot. Bonds2

About (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone

(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 118444517) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID118444517
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@]1(C)CCN(C(=O)C2(F)CNC2)C1
InChIInChI=1S/C12H21FN2O/c1-9(2)11(3)4-5-15(8-11)10(16)12(13)6-14-7-12/h9,14H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyCNACHGRKDUBLIU-NSHDSACASA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-fluoro-3-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444608
2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442
(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 118444542
(5R)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 118444543
(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444443
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 118444545
tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444524
(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 118444533
azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate
CID 118444576
(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444601
(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 176675857

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone (CID 118444517) is (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)[C@@]1(C)CCN(C(=O)C2(F)CNC2)C1.
What is the InChIKey of (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is CNACHGRKDUBLIU-NSHDSACASA-N. The full InChI is InChI=1S/C12H21FN2O/c1-9(2)11(3)4-5-15(8-11)10(16)12(13)6-14-7-12/h9,14H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 228.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 118444517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).