(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine

C19H20F3NO2 — CID 172541746

IUPAC(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
SMILESCOc1ccc(CN2C[C@@H](OCc3ccccc3)[C@@H]2C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2/c1-24-16-9-7-14(8-10-16)11-23-12-17(18(23)19(20,21)22)25-13-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/t17-,18-/m1/s1
InChIKeyBXPWUCWMNLRXEX-QZTJIDSGSA-N
MW351.37 g/mol
LogP4.03
Rot. Bonds6

About (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine

(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine (PubChem CID 172541746) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
PubChem CID172541746
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
SMILESCOc1ccc(CN2C[C@@H](OCc3ccccc3)[C@@H]2C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2/c1-24-16-9-7-14(8-10-16)11-23-12-17(18(23)19(20,21)22)25-13-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/t17-,18-/m1/s1
InChIKeyBXPWUCWMNLRXEX-QZTJIDSGSA-N
XLogP4.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
CID 178065868
1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 58622824
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 11235798
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868
(1R,3S,4R)-2-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)cyclohexan-1-ol
CID 90854427
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine?
The IUPAC name of (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine (CID 172541746) is (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine.
What is the SMILES notation for (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine?
The canonical SMILES for (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine is COc1ccc(CN2C[C@@H](OCc3ccccc3)[C@@H]2C(F)(F)F)cc1.
What is the InChIKey of (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine?
The InChIKey is BXPWUCWMNLRXEX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-24-16-9-7-14(8-10-16)11-23-12-17(18(23)19(20,21)22)25-13-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine?
(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine has a molecular weight of 351.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine is sourced from PubChem (CID 172541746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).