[2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

C16H10F7NO2 — CID 171507111

IUPAC[2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C16H10F7NO2/c1-24(11-5-3-10(17)4-6-11)14(25)26-13-7-2-9(15(18,19)20)8-12(13)16(21,22)23/h2-8H,1H3
InChIKeySYNXFPVBUYLBST-UHFFFAOYSA-N
MW381.25 g/mol
LogP5.50
Rot. Bonds2

About [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

[2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (PubChem CID 171507111) has the molecular formula C16H10F7NO2 and a molecular weight of 381.25 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Name[2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
PubChem CID171507111
Molecular FormulaC16H10F7NO2
Molecular Weight381.25 g/mol
Exact Mass381.06
IUPAC Name[2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C16H10F7NO2/c1-24(11-5-3-10(17)4-6-11)14(25)26-13-7-2-9(15(18,19)20)8-12(13)16(21,22)23/h2-8H,1H3
InChIKeySYNXFPVBUYLBST-UHFFFAOYSA-N
XLogP5.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.25
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethynyl-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171837134
[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507144
[2-(2-oxo-3-prop-1-ynylimidazol-1-yl)-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171837329
[2-[3-(2-ethoxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507508
[2-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171837337
[2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 175621076
[2-[3-[(1-methylazetidin-3-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507238
[2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507493
[2-methyl-4,6-bis(trifluoromethyl)phenyl] N-[4-(difluoromethoxy)phenyl]-N-methylcarbamate
CID 171507243
[2-[3-[3-(hydroxymethyl)oxetan-3-yl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507234
[2-[3-(1-methylsulfanylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507148
N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline
CID 171837541

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The IUPAC name of [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (CID 171507111) is [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.
What is the SMILES notation for [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The canonical SMILES for [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is CN(C(=O)Oc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The InChIKey is SYNXFPVBUYLBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F7NO2/c1-24(11-5-3-10(17)4-6-11)14(25)26-13-7-2-9(15(18,19)20)8-12(13)16(21,22)23/h2-8H,1H3.
What are the key properties of [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
[2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate has a molecular weight of 381.25 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 171507111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).