(3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one

C11H11F2NO2 — CID 10489467

IUPAC(3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one
SMILESO=C1N[C@@H](C(F)F)[C@H]1OCc1ccccc1
InChIInChI=1S/C11H11F2NO2/c12-10(13)8-9(11(15)14-8)16-6-7-4-2-1-3-5-7/h1-5,8-10H,6H2,(H,14,15)/t8-,9-/m1/s1
InChIKeyDVYCJDAPSULMOT-RKDXNWHRSA-N
MW227.21 g/mol
LogP1.34
Rot. Bonds4

About (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one

(3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one (PubChem CID 10489467) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one
PubChem CID10489467
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name(3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one
SMILESO=C1N[C@@H](C(F)F)[C@H]1OCc1ccccc1
InChIInChI=1S/C11H11F2NO2/c12-10(13)8-9(11(15)14-8)16-6-7-4-2-1-3-5-7/h1-5,8-10H,6H2,(H,14,15)/t8-,9-/m1/s1
InChIKeyDVYCJDAPSULMOT-RKDXNWHRSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-6-phenyl-3-morpholinone
CID 21789
Benzyl 4-oxo-2-azetidinecarboxylate
CID 2808534
2-Amino-1-phenylethanol, N,O-bis(pentafluoropropionyl)-
CID 53755055
N-[(1R,2R)-1-[(3S)-2,2-dimethylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 10861242
2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737560
2,2,2-trifluoro-N-[(1R,2R)-1-[(4R)-non-1-en-4-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 101946841
Benzyl (2S)-4-oxoazetidine-2-carboxylate
CID 717310
2-Amino-1-phenylethanol, N,O-bis(heptafluorobutyryl)-
CID 550476
Phenylpropanolamine, N,O-bis(heptafluorobutyryl) deriv.
CID 617606
2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 10712398
2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737561
(3R,4S)-3-phenylmethoxy-1-propan-2-yl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]azetidin-2-one
CID 139095407

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one (CID 10489467) is (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one is O=C1N[C@@H](C(F)F)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one?
The InChIKey is DVYCJDAPSULMOT-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-10(13)8-9(11(15)14-8)16-6-7-4-2-1-3-5-7/h1-5,8-10H,6H2,(H,14,15)/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one?
(3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one has a molecular weight of 227.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(difluoromethyl)-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10489467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).