[4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate

C13H9F3N2O2 — CID 66589356

IUPAC[4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate
SMILESNC(=O)Oc1nccc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)10-9(8-4-2-1-3-5-8)6-7-18-11(10)20-12(17)19/h1-7H,(H2,17,19)
InChIKeyUFYZCTFIBKVEFI-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.22
Rot. Bonds2

About [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate

[4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate (PubChem CID 66589356) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate
PubChem CID66589356
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name[4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate
SMILESNC(=O)Oc1nccc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)10-9(8-4-2-1-3-5-8)6-7-18-11(10)20-12(17)19/h1-7H,(H2,17,19)
InChIKeyUFYZCTFIBKVEFI-UHFFFAOYSA-N
XLogP3.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate?
The IUPAC name of [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate (CID 66589356) is [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate.
What is the SMILES notation for [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate?
The canonical SMILES for [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate is NC(=O)Oc1nccc(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate?
The InChIKey is UFYZCTFIBKVEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)10-9(8-4-2-1-3-5-8)6-7-18-11(10)20-12(17)19/h1-7H,(H2,17,19).
What are the key properties of [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate?
[4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate has a molecular weight of 282.22 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-3-(trifluoromethyl)-2-pyridinyl] carbamate is sourced from PubChem (CID 66589356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).