methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate

C14H16F3NO3 — CID 115670698

IUPACmethyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-20-13(19)12-9-21-7-6-18(12)8-10-4-2-3-5-11(10)14(15,16)17/h2-5,12H,6-9H2,1H3
InChIKeyRCDHHRPZLMSWOU-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.08
Rot. Bonds3

About methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate

methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate (PubChem CID 115670698) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
PubChem CID115670698
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Namemethyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-20-13(19)12-9-21-7-6-18(12)8-10-4-2-3-5-11(10)14(15,16)17/h2-5,12H,6-9H2,1H3
InChIKeyRCDHHRPZLMSWOU-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
CID 115970488
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
methyl 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-3-carboxylate
CID 113247750
methyl 4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine-3-carboxylate
CID 104773304

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate (CID 115670698) is methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate?
The InChIKey is RCDHHRPZLMSWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-20-13(19)12-9-21-7-6-18(12)8-10-4-2-3-5-11(10)14(15,16)17/h2-5,12H,6-9H2,1H3.
What are the key properties of methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate?
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate has a molecular weight of 303.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).