[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate

C10H9F3N2O2 — CID 175160197

IUPAC[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate
SMILESNC(=O)Oc1cc(C(F)(F)F)nc2c1CCC2
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)8-4-7(17-9(14)16)5-2-1-3-6(5)15-8/h4H,1-3H2,(H2,14,16)
InChIKeyCHICIYVZCUARCC-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.05
Rot. Bonds1

About [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate

[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate (PubChem CID 175160197) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate.

Molecular Properties

Compound Name[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate
PubChem CID175160197
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate
SMILESNC(=O)Oc1cc(C(F)(F)F)nc2c1CCC2
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)8-4-7(17-9(14)16)5-2-1-3-6(5)15-8/h4H,1-3H2,(H2,14,16)
InChIKeyCHICIYVZCUARCC-UHFFFAOYSA-N
XLogP2.05
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate?
The IUPAC name of [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate (CID 175160197) is [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate.
What is the SMILES notation for [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate?
The canonical SMILES for [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate is NC(=O)Oc1cc(C(F)(F)F)nc2c1CCC2.
What is the InChIKey of [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate?
The InChIKey is CHICIYVZCUARCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)8-4-7(17-9(14)16)5-2-1-3-6(5)15-8/h4H,1-3H2,(H2,14,16).
What are the key properties of [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate?
[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate has a molecular weight of 246.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl] carbamate is sourced from PubChem (CID 175160197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).