phenyl N-(2,3,5-trifluorophenyl)carbamate

C13H8F3NO2 — CID 64592474

IUPACphenyl N-(2,3,5-trifluorophenyl)carbamate
SMILESO=C(Nc1cc(F)cc(F)c1F)Oc1ccccc1
InChIInChI=1S/C13H8F3NO2/c14-8-6-10(15)12(16)11(7-8)17-13(18)19-9-4-2-1-3-5-9/h1-7H,(H,17,18)
InChIKeyZYBMMGJJZAYUGZ-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.71
Rot. Bonds2

About phenyl N-(2,3,5-trifluorophenyl)carbamate

phenyl N-(2,3,5-trifluorophenyl)carbamate (PubChem CID 64592474) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is phenyl N-(2,3,5-trifluorophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2,3,5-trifluorophenyl)carbamate
PubChem CID64592474
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Namephenyl N-(2,3,5-trifluorophenyl)carbamate
SMILESO=C(Nc1cc(F)cc(F)c1F)Oc1ccccc1
InChIInChI=1S/C13H8F3NO2/c14-8-6-10(15)12(16)11(7-8)17-13(18)19-9-4-2-1-3-5-9/h1-7H,(H,17,18)
InChIKeyZYBMMGJJZAYUGZ-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.71
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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Related Compounds

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phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(2,3,5-trifluorophenyl)carbamate?
The IUPAC name of phenyl N-(2,3,5-trifluorophenyl)carbamate (CID 64592474) is phenyl N-(2,3,5-trifluorophenyl)carbamate.
What is the SMILES notation for phenyl N-(2,3,5-trifluorophenyl)carbamate?
The canonical SMILES for phenyl N-(2,3,5-trifluorophenyl)carbamate is O=C(Nc1cc(F)cc(F)c1F)Oc1ccccc1.
What is the InChIKey of phenyl N-(2,3,5-trifluorophenyl)carbamate?
The InChIKey is ZYBMMGJJZAYUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-8-6-10(15)12(16)11(7-8)17-13(18)19-9-4-2-1-3-5-9/h1-7H,(H,17,18).
What are the key properties of phenyl N-(2,3,5-trifluorophenyl)carbamate?
phenyl N-(2,3,5-trifluorophenyl)carbamate has a molecular weight of 267.21 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2,3,5-trifluorophenyl)carbamate is sourced from PubChem (CID 64592474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).