2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate

C10H8ClF4NO2 — CID 62734852

IUPAC2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)c(Cl)c1)OCC(F)(F)F
InChIInChI=1S/C10H8ClF4NO2/c11-7-3-6(1-2-8(7)12)4-16-9(17)18-5-10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyGEGPBNQQGCUKOT-UHFFFAOYSA-N
MW285.62 g/mol
LogP3.27
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate

2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate (PubChem CID 62734852) has the molecular formula C10H8ClF4NO2 and a molecular weight of 285.62 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
PubChem CID62734852
Molecular FormulaC10H8ClF4NO2
Molecular Weight285.62 g/mol
Exact Mass285.02
IUPAC Name2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)c(Cl)c1)OCC(F)(F)F
InChIInChI=1S/C10H8ClF4NO2/c11-7-3-6(1-2-8(7)12)4-16-9(17)18-5-10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyGEGPBNQQGCUKOT-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 53.27
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-chloro-4-fluorophenyl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate (CID 62734852) is 2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate is O=C(NCc1ccc(F)c(Cl)c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
The InChIKey is GEGPBNQQGCUKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO2/c11-7-3-6(1-2-8(7)12)4-16-9(17)18-5-10(13,14)15/h1-3H,4-5H2,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate has a molecular weight of 285.62 g/mol, XLogP of 3.27, 3 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-chloro-4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 62734852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).