[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate

C10H10F3NO2 — CID 135084431

IUPAC[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-14(2)9(15)16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3
InChIKeyQYENCZZKYVSWFX-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.77
Rot. Bonds1

About [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate

[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate (PubChem CID 135084431) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate
PubChem CID135084431
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-14(2)9(15)16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3
InChIKeyQYENCZZKYVSWFX-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate (CID 135084431) is [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate?
The InChIKey is QYENCZZKYVSWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14(2)9(15)16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3.
What are the key properties of [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate?
[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate has a molecular weight of 233.19 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 135084431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).