2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol

C13H15F3INO2 — CID 172610174

IUPAC2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol
SMILESC[C@@H]1CN(Cc2cc(I)c(O)c(C(F)(F)F)c2)CCO1
InChIInChI=1S/C13H15F3INO2/c1-8-6-18(2-3-20-8)7-9-4-10(13(14,15)16)12(19)11(17)5-9/h4-5,8,19H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyJEFPZXNBVMFWAP-MRVPVSSYSA-N
MW401.17 g/mol
LogP3.24
Rot. Bonds2

About 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol

2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol (PubChem CID 172610174) has the molecular formula C13H15F3INO2 and a molecular weight of 401.17 g/mol. Its IUPAC name is 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol
PubChem CID172610174
Molecular FormulaC13H15F3INO2
Molecular Weight401.17 g/mol
Exact Mass401.01
IUPAC Name2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol
SMILESC[C@@H]1CN(Cc2cc(I)c(O)c(C(F)(F)F)c2)CCO1
InChIInChI=1S/C13H15F3INO2/c1-8-6-18(2-3-20-8)7-9-4-10(13(14,15)16)12(19)11(17)5-9/h4-5,8,19H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyJEFPZXNBVMFWAP-MRVPVSSYSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole
CID 166557361
5-tert-butyl-3-[(2-methylmorpholin-4-yl)methyl]benzene-1,2-diol
CID 17392579
2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980019
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
3-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 112646142
2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 3537388
4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine
CID 134055216
2-fluoro-5-[(2-methylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 114012047
2-methyl-4-(1,2-oxazol-5-ylmethyl)morpholine
CID 130668586
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
4-(2,3-dihydro-1H-indol-6-ylmethyl)-2-methylmorpholine
CID 113382511

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol (CID 172610174) is 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol is C[C@@H]1CN(Cc2cc(I)c(O)c(C(F)(F)F)c2)CCO1.
What is the InChIKey of 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol?
The InChIKey is JEFPZXNBVMFWAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F3INO2/c1-8-6-18(2-3-20-8)7-9-4-10(13(14,15)16)12(19)11(17)5-9/h4-5,8,19H,2-3,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol?
2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol has a molecular weight of 401.17 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-[[(2R)-2-methylmorpholin-4-yl]methyl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 172610174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).