(3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one

C11H10F3NO2 — CID 10490555

IUPAC(3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1N[C@@H](C(F)(F)F)[C@H]1OCc1ccccc1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)9-8(10(16)15-9)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16)/t8-,9-/m1/s1
InChIKeyKJDZNZOBJLSYJH-RKDXNWHRSA-N
MW245.20 g/mol
LogP1.63
Rot. Bonds3

About (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one

(3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one (PubChem CID 10490555) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
PubChem CID10490555
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1N[C@@H](C(F)(F)F)[C@H]1OCc1ccccc1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)9-8(10(16)15-9)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16)/t8-,9-/m1/s1
InChIKeyKJDZNZOBJLSYJH-RKDXNWHRSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.63
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)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one (CID 10490555) is (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one is O=C1N[C@@H](C(F)(F)F)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is KJDZNZOBJLSYJH-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)9-8(10(16)15-9)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
(3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 10490555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).