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

C9H16FN — CID 117205575

IUPAC5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CCC=C(CF)C1
InChIInChI=1S/C9H16FN/c1-8(2)11-5-3-4-9(6-10)7-11/h4,8H,3,5-7H2,1-2H3
InChIKeyALYBHWROWGOTGM-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds2

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

5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 117205575) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID117205575
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CCC=C(CF)C1
InChIInChI=1S/C9H16FN/c1-8(2)11-5-3-4-9(6-10)7-11/h4,8H,3,5-7H2,1-2H3
InChIKeyALYBHWROWGOTGM-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
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

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449
4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
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
(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
CID 89168015
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
CID 123519237

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 117205575) is 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)N1CCC=C(CF)C1.
What is the InChIKey of 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is ALYBHWROWGOTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2)11-5-3-4-9(6-10)7-11/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).