[4-(trifluoromethyl)phenyl] carbamate

C8H6F3NO2 — CID 3753484

IUPAC[4-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H2,12,13)
InChIKeyJCPLZLUJLOCUOG-UHFFFAOYSA-N
MW205.14 g/mol
LogP2.16
Rot. Bonds1

About [4-(trifluoromethyl)phenyl] carbamate

[4-(trifluoromethyl)phenyl] carbamate (PubChem CID 3753484) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] carbamate
PubChem CID3753484
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name[4-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H2,12,13)
InChIKeyJCPLZLUJLOCUOG-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] carbamate (CID 3753484) is [4-(trifluoromethyl)phenyl] carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] carbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] carbamate is NC(=O)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] carbamate?
The InChIKey is JCPLZLUJLOCUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H2,12,13).
What are the key properties of [4-(trifluoromethyl)phenyl] carbamate?
[4-(trifluoromethyl)phenyl] carbamate has a molecular weight of 205.14 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] carbamate is sourced from PubChem (CID 3753484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).