N-phenyl-N-(3,4,5-trifluorophenyl)carbamate

C13H7F3NO2- — CID 156594025

IUPACN-phenyl-N-(3,4,5-trifluorophenyl)carbamate
SMILESO=C([O-])N(c1ccccc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H8F3NO2/c14-10-6-9(7-11(15)12(10)16)17(13(18)19)8-4-2-1-3-5-8/h1-7H,(H,18,19)/p-1
InChIKeyNMEUREVYMOFWJF-UHFFFAOYSA-M
MW266.20 g/mol
LogP2.59
Rot. Bonds2

About N-phenyl-N-(3,4,5-trifluorophenyl)carbamate

N-phenyl-N-(3,4,5-trifluorophenyl)carbamate (PubChem CID 156594025) has the molecular formula C13H7F3NO2- and a molecular weight of 266.20 g/mol. Its IUPAC name is N-phenyl-N-(3,4,5-trifluorophenyl)carbamate.

Molecular Properties

Compound NameN-phenyl-N-(3,4,5-trifluorophenyl)carbamate
PubChem CID156594025
Molecular FormulaC13H7F3NO2-
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC NameN-phenyl-N-(3,4,5-trifluorophenyl)carbamate
SMILESO=C([O-])N(c1ccccc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H8F3NO2/c14-10-6-9(7-11(15)12(10)16)17(13(18)19)8-4-2-1-3-5-8/h1-7H,(H,18,19)/p-1
InChIKeyNMEUREVYMOFWJF-UHFFFAOYSA-M
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione
CID 58625844
N,N-diphenylcarbamate;triethyl(2-hydroxyethyl)azanium;iodide
CID 23623397
cobalt;bis(diphenylcarbamic acid)
CID 155679078
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
N-(2-fluorophenyl)-N-phenylcarbamoyl chloride
CID 54022555
1,1-diphenylurea
CID 174849888
2,3,5-trifluoro-6-hydroxybenzoic acid
CID 84820872
[3-fluoro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 71129201
sodium N,N-diphenylcarbamothioate
CID 142702473
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
sodium;N,N-difluoroaniline;acetate
CID 162315438
(2-fluoro-4-methylphenyl) N,N-diphenylcarbamate
CID 149161971

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3,4,5-trifluorophenyl)carbamate?
The IUPAC name of N-phenyl-N-(3,4,5-trifluorophenyl)carbamate (CID 156594025) is N-phenyl-N-(3,4,5-trifluorophenyl)carbamate.
What is the SMILES notation for N-phenyl-N-(3,4,5-trifluorophenyl)carbamate?
The canonical SMILES for N-phenyl-N-(3,4,5-trifluorophenyl)carbamate is O=C([O-])N(c1ccccc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-phenyl-N-(3,4,5-trifluorophenyl)carbamate?
The InChIKey is NMEUREVYMOFWJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8F3NO2/c14-10-6-9(7-11(15)12(10)16)17(13(18)19)8-4-2-1-3-5-8/h1-7H,(H,18,19)/p-1.
What are the key properties of N-phenyl-N-(3,4,5-trifluorophenyl)carbamate?
N-phenyl-N-(3,4,5-trifluorophenyl)carbamate has a molecular weight of 266.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3,4,5-trifluorophenyl)carbamate is sourced from PubChem (CID 156594025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).