2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate

C9H6Cl2F3NO2 — CID 795110

IUPAC2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCC(F)(F)F
InChIInChI=1S/C9H6Cl2F3NO2/c10-6-2-1-5(3-7(6)11)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyRDKOSUXOQXDVPH-UHFFFAOYSA-N
MW288.05 g/mol
LogP4.10
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate

2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 795110) has the molecular formula C9H6Cl2F3NO2 and a molecular weight of 288.05 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID795110
Molecular FormulaC9H6Cl2F3NO2
Molecular Weight288.05 g/mol
Exact Mass286.97
IUPAC Name2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCC(F)(F)F
InChIInChI=1S/C9H6Cl2F3NO2/c10-6-2-1-5(3-7(6)11)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyRDKOSUXOQXDVPH-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.05
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate (CID 795110) is 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is RDKOSUXOQXDVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO2/c10-6-2-1-5(3-7(6)11)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate?
2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 288.05 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 795110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).