(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one

C10H10FNO2 — CID 130754471

IUPAC(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one
SMILESCO[C@H]1C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-14-9-8(12-10(9)13)6-2-4-7(11)5-3-6/h2-5,8-9H,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyAJMXRRTWTUTFAA-DTWKUNHWSA-N
MW195.19 g/mol
LogP1.01
Rot. Bonds2

About (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one

(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one (PubChem CID 130754471) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one
PubChem CID130754471
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one
SMILESCO[C@H]1C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-14-9-8(12-10(9)13)6-2-4-7(11)5-3-6/h2-5,8-9H,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyAJMXRRTWTUTFAA-DTWKUNHWSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one
CID 98345871
2-(4-fluorophenyl)-3-methylaziridine
CID 71437972
[(2R,3S)-2-(4-cyanophenyl)-4-oxoazetidin-3-yl] acetate
CID 122372048
(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 20638691
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
methyl 5-(4-fluorophenyl)triazolidine-4-carboxylate
CID 77212993
5-(4-fluorophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79430176
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
4,5,9,10-tetrakis(4-fluorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374958
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374
2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine
CID 105463019

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one (CID 130754471) is (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one is CO[C@H]1C(=O)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one?
The InChIKey is AJMXRRTWTUTFAA-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-9-8(12-10(9)13)6-2-4-7(11)5-3-6/h2-5,8-9H,1H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one?
(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one has a molecular weight of 195.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one is sourced from PubChem (CID 130754471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).