[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate

C15H12F3NO2 — CID 91138505

IUPAC[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO2/c1-19-14(20)21-11-8-6-10(7-9-11)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyOZNOXEGETCODPT-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.09
Rot. Bonds2

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

[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate (PubChem CID 91138505) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate
PubChem CID91138505
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO2/c1-19-14(20)21-11-8-6-10(7-9-11)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyOZNOXEGETCODPT-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate?
The IUPAC name of [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate (CID 91138505) is [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate.
What is the SMILES notation for [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate?
The canonical SMILES for [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate?
The InChIKey is OZNOXEGETCODPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-19-14(20)21-11-8-6-10(7-9-11)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate?
[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate has a molecular weight of 295.26 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate is sourced from PubChem (CID 91138505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).