3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine

C8H14FN — CID 177107862

IUPAC3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)C(F)CN(C)C1
InChIInChI=1S/C8H14FN/c1-6-4-10(3)5-8(9)7(6)2/h8H,4-5H2,1-3H3
InChIKeyZSBQHHMOYVMTPC-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.61
Rot. Bonds

About 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine

3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine (PubChem CID 177107862) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine
PubChem CID177107862
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)C(F)CN(C)C1
InChIInChI=1S/C8H14FN/c1-6-4-10(3)5-8(9)7(6)2/h8H,4-5H2,1-3H3
InChIKeyZSBQHHMOYVMTPC-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.61
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-(1-Fluoroethylidene)-1-methylpiperidine
CID 20612504
4,5-difluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799113
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
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 89224797
(E)-N-ethyl-4-fluoro-N,3-dimethylpent-3-en-1-amine
CID 89243571
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
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
(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine
CID 134593961
4,5-bis(ethenyl)-2-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 143404568

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine (CID 177107862) is 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine is CC1=C(C)C(F)CN(C)C1.
What is the InChIKey of 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZSBQHHMOYVMTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-6-4-10(3)5-8(9)7(6)2/h8H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 143.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 177107862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).