(2,3,5,6-tetrafluorophenyl) N-methylcarbamate

C8H5F4NO2 — CID 155696614

IUPAC(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H5F4NO2/c1-13-8(14)15-7-5(11)3(9)2-4(10)6(7)12/h2H,1H3,(H,13,14)
InChIKeyUYPWAYRDOZUQMW-UHFFFAOYSA-N
MW223.12 g/mol
LogP1.96
Rot. Bonds1

About (2,3,5,6-tetrafluorophenyl) N-methylcarbamate

(2,3,5,6-tetrafluorophenyl) N-methylcarbamate (PubChem CID 155696614) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is (2,3,5,6-tetrafluorophenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
PubChem CID155696614
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H5F4NO2/c1-13-8(14)15-7-5(11)3(9)2-4(10)6(7)12/h2H,1H3,(H,13,14)
InChIKeyUYPWAYRDOZUQMW-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluorophenyl) N-methylcarbamate?
The IUPAC name of (2,3,5,6-tetrafluorophenyl) N-methylcarbamate (CID 155696614) is (2,3,5,6-tetrafluorophenyl) N-methylcarbamate.
What is the SMILES notation for (2,3,5,6-tetrafluorophenyl) N-methylcarbamate?
The canonical SMILES for (2,3,5,6-tetrafluorophenyl) N-methylcarbamate is CNC(=O)Oc1c(F)c(F)cc(F)c1F.
What is the InChIKey of (2,3,5,6-tetrafluorophenyl) N-methylcarbamate?
The InChIKey is UYPWAYRDOZUQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c1-13-8(14)15-7-5(11)3(9)2-4(10)6(7)12/h2H,1H3,(H,13,14).
What are the key properties of (2,3,5,6-tetrafluorophenyl) N-methylcarbamate?
(2,3,5,6-tetrafluorophenyl) N-methylcarbamate has a molecular weight of 223.12 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluorophenyl) N-methylcarbamate is sourced from PubChem (CID 155696614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).