5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine

C9H16FN — CID 155066771

IUPAC5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
SMILESCC(C)C1CCN(C)C=C1F
InChIInChI=1S/C9H16FN/c1-7(2)8-4-5-11(3)6-9(8)10/h6-8H,4-5H2,1-3H3
InChIKeyVNKRCSXOXZSBAH-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.40
Rot. Bonds1

About 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine

5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine (PubChem CID 155066771) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
PubChem CID155066771
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
SMILESCC(C)C1CCN(C)C=C1F
InChIInChI=1S/C9H16FN/c1-7(2)8-4-5-11(3)6-9(8)10/h6-8H,4-5H2,1-3H3
InChIKeyVNKRCSXOXZSBAH-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-Fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole
CID 123599714
5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 153307987
1-Ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine
CID 176558443
1,3,5-trimethyl-3,4-dihydro-2H-pyridine
CID 13700378
1-methyl-5-propan-2-yl-3,4-dihydro-2H-pyridine
CID 20668453
1,5-dimethyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
CID 21721316
1,4,5-trimethyl-3,4-dihydro-2H-pyridine
CID 68340069
1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine
CID 118136654
4-tert-butyl-1,5-dimethyl-3,4-dihydro-2H-pyridine
CID 135141973
ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine
CID 142338088
1-ethyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
CID 142498999
ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine
CID 142520730

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine (CID 155066771) is 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine is CC(C)C1CCN(C)C=C1F.
What is the InChIKey of 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine?
The InChIKey is VNKRCSXOXZSBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)8-4-5-11(3)6-9(8)10/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine?
5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 155066771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).