(2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one

C14H16F3NO2 — CID 10493505

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CC[C@H]1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-10-8-9-18(10)12(19)13(20-2,14(15,16)17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeySVDIQWFYPBOOOE-ZWNOBZJWSA-N
MW287.28 g/mol
LogP2.71
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one

(2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one (PubChem CID 10493505) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one
PubChem CID10493505
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CC[C@H]1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-10-8-9-18(10)12(19)13(20-2,14(15,16)17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeySVDIQWFYPBOOOE-ZWNOBZJWSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one with MolForge

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Related Compounds

2-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 14318226
3,3,3-Trifluoro-2-methoxy-2-phenylpropanamide
CID 287241
4,4,4-Trifluoro-1-[3-(4-fluorophenyl)-3-methoxy-azetidin-1-yl]butan-1-one
CID 137499441
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
methyl (2S)-4-fluoro-4-methyl-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]pentanoate
CID 12167159
(2R)-3,3,3-trifluoro-2-methoxy-N-(4-oxotridecan-3-yl)-2-phenylpropanamide
CID 44216791
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one (CID 10493505) is (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one is CO[C@@](C(=O)N1CC[C@H]1C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is SVDIQWFYPBOOOE-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-10-8-9-18(10)12(19)13(20-2,14(15,16)17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one?
(2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 287.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methoxy-1-[(2R)-2-methylazetidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 10493505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).