[4-(trifluoromethyl)phenyl] N-ethylcarbamate

C10H10F3NO2 — CID 67379936

IUPAC[4-(trifluoromethyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-2-14-9(15)16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyYMTCJAWNDMDXKV-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.81
Rot. Bonds2

About [4-(trifluoromethyl)phenyl] N-ethylcarbamate

[4-(trifluoromethyl)phenyl] N-ethylcarbamate (PubChem CID 67379936) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N-ethylcarbamate
PubChem CID67379936
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name[4-(trifluoromethyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-2-14-9(15)16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyYMTCJAWNDMDXKV-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] N-ethylcarbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N-ethylcarbamate (CID 67379936) is [4-(trifluoromethyl)phenyl] N-ethylcarbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N-ethylcarbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N-ethylcarbamate?
The InChIKey is YMTCJAWNDMDXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-2-14-9(15)16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of [4-(trifluoromethyl)phenyl] N-ethylcarbamate?
[4-(trifluoromethyl)phenyl] N-ethylcarbamate has a molecular weight of 233.19 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N-ethylcarbamate is sourced from PubChem (CID 67379936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).