[4-(2,2,2-trifluoroethoxy)phenyl] carbamate

C9H8F3NO3 — CID 18703585

IUPAC[4-(2,2,2-trifluoroethoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)5-15-6-1-3-7(4-2-6)16-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKeyKWRIKVSTPLFPKK-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.09
Rot. Bonds3

About [4-(2,2,2-trifluoroethoxy)phenyl] carbamate

[4-(2,2,2-trifluoroethoxy)phenyl] carbamate (PubChem CID 18703585) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxy)phenyl] carbamate.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxy)phenyl] carbamate
PubChem CID18703585
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name[4-(2,2,2-trifluoroethoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)5-15-6-1-3-7(4-2-6)16-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKeyKWRIKVSTPLFPKK-UHFFFAOYSA-N
XLogP2.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxy)phenyl] carbamate?
The IUPAC name of [4-(2,2,2-trifluoroethoxy)phenyl] carbamate (CID 18703585) is [4-(2,2,2-trifluoroethoxy)phenyl] carbamate.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxy)phenyl] carbamate?
The canonical SMILES for [4-(2,2,2-trifluoroethoxy)phenyl] carbamate is NC(=O)Oc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxy)phenyl] carbamate?
The InChIKey is KWRIKVSTPLFPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)5-15-6-1-3-7(4-2-6)16-8(13)14/h1-4H,5H2,(H2,13,14).
What are the key properties of [4-(2,2,2-trifluoroethoxy)phenyl] carbamate?
[4-(2,2,2-trifluoroethoxy)phenyl] carbamate has a molecular weight of 235.16 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxy)phenyl] carbamate is sourced from PubChem (CID 18703585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).