benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate

C10H7ClF3NO2 — CID 11459782

IUPACbenzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate
SMILESO=C(/N=C(\Cl)C(F)(F)F)OCc1ccccc1
InChIInChI=1S/C10H7ClF3NO2/c11-8(10(12,13)14)15-9(16)17-6-7-4-2-1-3-5-7/h1-5H,6H2/b15-8-
InChIKeyZJBOPQFIEWNUMI-NVNXTCNLSA-N
MW265.62 g/mol
LogP3.52
Rot. Bonds2

About benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate

benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate (PubChem CID 11459782) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate.

Molecular Properties

Compound Namebenzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate
PubChem CID11459782
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Namebenzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate
SMILESO=C(/N=C(\Cl)C(F)(F)F)OCc1ccccc1
InChIInChI=1S/C10H7ClF3NO2/c11-8(10(12,13)14)15-9(16)17-6-7-4-2-1-3-5-7/h1-5H,6H2/b15-8-
InChIKeyZJBOPQFIEWNUMI-NVNXTCNLSA-N
XLogP3.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate?
The IUPAC name of benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate (CID 11459782) is benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate.
What is the SMILES notation for benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate?
The canonical SMILES for benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate is O=C(/N=C(\Cl)C(F)(F)F)OCc1ccccc1.
What is the InChIKey of benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate?
The InChIKey is ZJBOPQFIEWNUMI-NVNXTCNLSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c11-8(10(12,13)14)15-9(16)17-6-7-4-2-1-3-5-7/h1-5H,6H2/b15-8-.
What are the key properties of benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate?
benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate has a molecular weight of 265.62 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (NZ)-N-(1-chloro-2,2,2-trifluoroethylidene)carbamate is sourced from PubChem (CID 11459782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).