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

C11H16F3N — CID 71114234

IUPAC4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H16F3N/c1-9-2-6-15(7-3-9)8-10(4-5-10)11(12,13)14/h2H,3-8H2,1H3
InChIKeyUMBMTEWITVHGRW-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.98
Rot. Bonds2

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

4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine (PubChem CID 71114234) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
PubChem CID71114234
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H16F3N/c1-9-2-6-15(7-3-9)8-10(4-5-10)11(12,13)14/h2H,3-8H2,1H3
InChIKeyUMBMTEWITVHGRW-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.98
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-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
CID 118500396
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 156737198
4-tert-butyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 162475450
1-(2,2-difluoroethyl)-4-methyl-5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
CID 170093351
(E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
CID 170260356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine (CID 71114234) is 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine is CC1=CCN(CC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is UMBMTEWITVHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-9-2-6-15(7-3-9)8-10(4-5-10)11(12,13)14/h2H,3-8H2,1H3.
What are the key properties of 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine?
4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 219.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 71114234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).