tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate

C19H20F3NO3 — CID 171654852

IUPACtert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3/c1-18(2,3)26-17(24)23(4)14-7-11-16(12-8-14)25-15-9-5-13(6-10-15)19(20,21)22/h5-12H,1-4H3
InChIKeyZIKGYVQHQMFRFI-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.87
Rot. Bonds3

About tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate

tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate (PubChem CID 171654852) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate
PubChem CID171654852
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Nametert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3/c1-18(2,3)26-17(24)23(4)14-7-11-16(12-8-14)25-15-9-5-13(6-10-15)19(20,21)22/h5-12H,1-4H3
InChIKeyZIKGYVQHQMFRFI-UHFFFAOYSA-N
XLogP5.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 174502211
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate
CID 160630611
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
[methyl-[4-(trifluoromethyl)phenyl]carbamoyl]oxymethyl (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 146488980
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
2-[N-methyl-4-(trifluoromethyl)anilino]-2-oxoacetic acid
CID 83630391
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
CID 145420366
2-[methyl-[[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]methyl]amino]acetic acid
CID 89485002

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate (CID 171654852) is tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate is CN(C(=O)OC(C)(C)C)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate?
The InChIKey is ZIKGYVQHQMFRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-18(2,3)26-17(24)23(4)14-7-11-16(12-8-14)25-15-9-5-13(6-10-15)19(20,21)22/h5-12H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate?
tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate has a molecular weight of 367.37 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate is sourced from PubChem (CID 171654852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).