(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone

C11H14F3NO — CID 177162085

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
SMILESCC1=CCN(C(=O)C2CC2C(F)(F)F)CC1
InChIInChI=1S/C11H14F3NO/c1-7-2-4-15(5-3-7)10(16)8-6-9(8)11(12,13)14/h2,8-9H,3-6H2,1H3
InChIKeySSUWSYKTFYFZCE-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.36
Rot. Bonds1

About (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 177162085) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
PubChem CID177162085
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
SMILESCC1=CCN(C(=O)C2CC2C(F)(F)F)CC1
InChIInChI=1S/C11H14F3NO/c1-7-2-4-15(5-3-7)10(16)8-6-9(8)11(12,13)14/h2,8-9H,3-6H2,1H3
InChIKeySSUWSYKTFYFZCE-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-one
CID 121450225
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-one
CID 121450240
4,4,4-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 121451616
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 129132997
4,4,4-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 134370426
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4-difluoropentan-1-one
CID 134370450
4,4,4-trifluoro-1-(4-pentan-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 134375484
ethane;4,4,4-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 144802294
1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
CID 163630227
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166815694
(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169023706

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone (CID 177162085) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone is CC1=CCN(C(=O)C2CC2C(F)(F)F)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is SSUWSYKTFYFZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7-2-4-15(5-3-7)10(16)8-6-9(8)11(12,13)14/h2,8-9H,3-6H2,1H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone?
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 233.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 177162085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).