[4-[4-(trifluoromethyl)phenyl]phenyl] carbamate

C14H10F3NO2 — CID 23626139

IUPAC[4-[4-(trifluoromethyl)phenyl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-13(18)19/h1-8H,(H2,18,19)
InChIKeyZIARVUIVYFGYIG-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.83
Rot. Bonds2

About [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate

[4-[4-(trifluoromethyl)phenyl]phenyl] carbamate (PubChem CID 23626139) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenyl]phenyl] carbamate
PubChem CID23626139
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name[4-[4-(trifluoromethyl)phenyl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-13(18)19/h1-8H,(H2,18,19)
InChIKeyZIARVUIVYFGYIG-UHFFFAOYSA-N
XLogP3.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate?
The IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate (CID 23626139) is [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate?
The canonical SMILES for [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate is NC(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate?
The InChIKey is ZIARVUIVYFGYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-13(18)19/h1-8H,(H2,18,19).
What are the key properties of [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate?
[4-[4-(trifluoromethyl)phenyl]phenyl] carbamate has a molecular weight of 281.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenyl]phenyl] carbamate is sourced from PubChem (CID 23626139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).