iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol

C20H23F3INO3 — CID 158449905

IUPACiodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCI.O[C@](Cc1ccccc1OC(F)(F)F)(c1ccccc1)[C@H]1CNCCO1
InChIInChI=1S/C19H20F3NO3.CH3I/c20-19(21,22)26-16-9-5-4-6-14(16)12-18(24,15-7-2-1-3-8-15)17-13-23-10-11-25-17;1-2/h1-9,17,23-24H,10-13H2;1H3/t17-,18-;/m1./s1
InChIKeyHDVTVRYIUGPZJK-JAXOOIEVSA-N
MW509.31 g/mol
LogP4.06
Rot. Bonds5

About iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol

iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 158449905) has the molecular formula C20H23F3INO3 and a molecular weight of 509.31 g/mol. Its IUPAC name is iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Nameiodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID158449905
Molecular FormulaC20H23F3INO3
Molecular Weight509.31 g/mol
Exact Mass509.07
IUPAC Nameiodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCI.O[C@](Cc1ccccc1OC(F)(F)F)(c1ccccc1)[C@H]1CNCCO1
InChIInChI=1S/C19H20F3NO3.CH3I/c20-19(21,22)26-16-9-5-4-6-14(16)12-18(24,15-7-2-1-3-8-15)17-13-23-10-11-25-17;1-2/h1-9,17,23-24H,10-13H2;1H3/t17-,18-;/m1./s1
InChIKeyHDVTVRYIUGPZJK-JAXOOIEVSA-N
XLogP4.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.31
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292907
(1S)-2-(2-ethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol
CID 69291601
(1R)-2-(2-fluorophenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69289132
2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69292927
(1R)-2-(5-fluoro-2-methoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290774
2-(2,4-difluorophenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290801
(1R)-2-(2,5-dimethoxyphenyl)-1-[(2R)-morpholin-2-yl]-1-phenylethanol
CID 159038319
2-(2,5-dimethoxyphenyl)-1-morpholin-2-yl-1-phenylethanol;hydrochloride
CID 69290815
2-[2-(4-chlorophenyl)phenyl]-1-morpholin-2-yl-1-phenylethanol
CID 69290782
1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292293
(1R)-2-(2,5-dichlorophenyl)-1-morpholin-2-yl-1-phenylethanol
CID 71097253
(1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol
CID 57341754

Frequently Asked Questions

What is the IUPAC name of iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol (CID 158449905) is iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol is CI.O[C@](Cc1ccccc1OC(F)(F)F)(c1ccccc1)[C@H]1CNCCO1.
What is the InChIKey of iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is HDVTVRYIUGPZJK-JAXOOIEVSA-N. The full InChI is InChI=1S/C19H20F3NO3.CH3I/c20-19(21,22)26-16-9-5-4-6-14(16)12-18(24,15-7-2-1-3-8-15)17-13-23-10-11-25-17;1-2/h1-9,17,23-24H,10-13H2;1H3/t17-,18-;/m1./s1.
What are the key properties of iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol?
iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 509.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;(1R)-1-[(2R)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 158449905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).