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

C15H16F3NO — CID 15916641

IUPAC1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one
SMILESCC(=O)CN1CC=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16F3NO/c1-11(20)10-19-7-5-12(6-8-19)13-3-2-4-14(9-13)15(16,17)18/h2-5,9H,6-8,10H2,1H3
InChIKeyITVIOTVEQDYANO-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.38
Rot. Bonds3

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

1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one (PubChem CID 15916641) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one
PubChem CID15916641
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one
SMILESCC(=O)CN1CC=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16F3NO/c1-11(20)10-19-7-5-12(6-8-19)13-3-2-4-14(9-13)15(16,17)18/h2-5,9H,6-8,10H2,1H3
InChIKeyITVIOTVEQDYANO-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one (CID 15916641) is 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one is CC(=O)CN1CC=C(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one?
The InChIKey is ITVIOTVEQDYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-11(20)10-19-7-5-12(6-8-19)13-3-2-4-14(9-13)15(16,17)18/h2-5,9H,6-8,10H2,1H3.
What are the key properties of 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one?
1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one has a molecular weight of 283.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-one is sourced from PubChem (CID 15916641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).