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

C7H12FN — CID 117205570

IUPAC5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(CF)C1
InChIInChI=1S/C7H12FN/c1-9-4-2-3-7(5-8)6-9/h3H,2,4-6H2,1H3
InChIKeyHXSKCQBVARSUCH-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.22
Rot. Bonds1

About 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine

5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 117205570) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID117205570
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(CF)C1
InChIInChI=1S/C7H12FN/c1-9-4-2-3-7(5-8)6-9/h3H,2,4-6H2,1H3
InChIKeyHXSKCQBVARSUCH-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

1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 117205566
1-methyl-5-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methoxymethyl]-3,6-dihydro-2H-pyridine
CID 23500777
N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 117205559
5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 14615850
O-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]hydroxylamine
CID 117206000
1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine
CID 57152000
N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 139581381
5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 168995095
2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid
CID 117205922
1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride
CID 117069152
5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 139679463
1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 117205570) is 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=C(CF)C1.
What is the InChIKey of 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is HXSKCQBVARSUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-9-4-2-3-7(5-8)6-9/h3H,2,4-6H2,1H3.
What are the key properties of 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(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 5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).