tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate

C19H20F3NO3 — CID 156784847

IUPACtert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO3/c1-18(2,3)26-17(24)23-14-8-6-9-15(11-14)25-12-13-7-4-5-10-16(13)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyHAPWRENZRUMYAF-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.63
Rot. Bonds4

About tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate

tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate (PubChem CID 156784847) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
PubChem CID156784847
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Nametert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO3/c1-18(2,3)26-17(24)23-14-8-6-9-15(11-14)25-12-13-7-4-5-10-16(13)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyHAPWRENZRUMYAF-UHFFFAOYSA-N
XLogP5.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 30011094
N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 86997534
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 78885330
[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
CID 175149197
tert-butyl N-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 87629672
tert-butyl N-[3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethoxy]phenyl]carbamate
CID 174211942
tert-butyl N-[3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]phenyl]carbamate
CID 59418728
ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 11974616
methyl 3-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]phenyl]propanoate
CID 173140306
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 141490494

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate (CID 156784847) is tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
The InChIKey is HAPWRENZRUMYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-18(2,3)26-17(24)23-14-8-6-9-15(11-14)25-12-13-7-4-5-10-16(13)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate?
tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate has a molecular weight of 367.37 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate is sourced from PubChem (CID 156784847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).