N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate

C16H13F3NO3- — CID 86737876

IUPACN-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate
SMILESCCN(C(=O)[O-])c1ccc(Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO3/c1-2-20(15(21)22)12-6-8-13(9-7-12)23-14-5-3-4-11(10-14)16(17,18)19/h3-10H,2H2,1H3,(H,21,22)/p-1
InChIKeyKCACZBCLMUGRDK-UHFFFAOYSA-M
MW324.28 g/mol
LogP3.67
Rot. Bonds4

About N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate

N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate (PubChem CID 86737876) has the molecular formula C16H13F3NO3- and a molecular weight of 324.28 g/mol. Its IUPAC name is N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate.

Molecular Properties

Compound NameN-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate
PubChem CID86737876
Molecular FormulaC16H13F3NO3-
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC NameN-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate
SMILESCCN(C(=O)[O-])c1ccc(Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO3/c1-2-20(15(21)22)12-6-8-13(9-7-12)23-14-5-3-4-11(10-14)16(17,18)19/h3-10H,2H2,1H3,(H,21,22)/p-1
InChIKeyKCACZBCLMUGRDK-UHFFFAOYSA-M
XLogP3.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate?
The IUPAC name of N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate (CID 86737876) is N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate.
What is the SMILES notation for N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate?
The canonical SMILES for N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate is CCN(C(=O)[O-])c1ccc(Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate?
The InChIKey is KCACZBCLMUGRDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14F3NO3/c1-2-20(15(21)22)12-6-8-13(9-7-12)23-14-5-3-4-11(10-14)16(17,18)19/h3-10H,2H2,1H3,(H,21,22)/p-1.
What are the key properties of N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate?
N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate has a molecular weight of 324.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate is sourced from PubChem (CID 86737876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).