[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate

C14H11F6NO2 — CID 87510173

IUPAC[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CC=C(c2ccccc2C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C14H11F6NO2/c15-13(16,17)11-4-2-1-3-10(11)9-5-7-21(8-6-9)23-12(22)14(18,19)20/h1-5H,6-8H2
InChIKeyRXRBBIWDXWQFOV-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.82
Rot. Bonds2

About [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate

[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 87510173) has the molecular formula C14H11F6NO2 and a molecular weight of 339.24 g/mol. Its IUPAC name is [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate
PubChem CID87510173
Molecular FormulaC14H11F6NO2
Molecular Weight339.24 g/mol
Exact Mass339.07
IUPAC Name[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CC=C(c2ccccc2C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C14H11F6NO2/c15-13(16,17)11-4-2-1-3-10(11)9-5-7-21(8-6-9)23-12(22)14(18,19)20/h1-5H,6-8H2
InChIKeyRXRBBIWDXWQFOV-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate (CID 87510173) is [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CC=C(c2ccccc2C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is RXRBBIWDXWQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6NO2/c15-13(16,17)11-4-2-1-3-10(11)9-5-7-21(8-6-9)23-12(22)14(18,19)20/h1-5H,6-8H2.
What are the key properties of [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate?
[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 339.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 87510173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).