4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine

C7H12FN — CID 117205519

IUPAC4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(CF)CC1
InChIInChI=1S/C7H12FN/c1-9-4-2-7(6-8)3-5-9/h2H,3-6H2,1H3
InChIKeyGXGCDIFBVGABPQ-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.22
Rot. Bonds1

About 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine

4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 117205519) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID117205519
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(CF)CC1
InChIInChI=1S/C7H12FN/c1-9-4-2-7(6-8)3-5-9/h2H,3-6H2,1H3
InChIKeyGXGCDIFBVGABPQ-UHFFFAOYSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.22
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

4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 55283731
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112
5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799114
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
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 117205519) is 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is GXGCDIFBVGABPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-9-4-2-7(6-8)3-5-9/h2H,3-6H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 129.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).