(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine

C7H10FN — CID 67991648

IUPAC(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
SMILESC[C@H]1CC=CC(=N1)CF
InChIInChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1
InChIKeyUGQGBGXSLCWDNI-LURJTMIESA-N
MW127.16 g/mol
LogP1.30
Rot. Bonds1

About (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine

(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine (PubChem CID 67991648) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
PubChem CID67991648
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
SMILESC[C@H]1CC=CC(=N1)CF
InChIInChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1
InChIKeyUGQGBGXSLCWDNI-LURJTMIESA-N
XLogP1.30
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity149

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine?
The IUPAC name of (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine (CID 67991648) is (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine?
The canonical SMILES for (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine is C[C@H]1CC=CC(=N1)CF.
What is the InChIKey of (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine?
The InChIKey is UGQGBGXSLCWDNI-LURJTMIESA-N. The full InChI is InChI=1S/C7H10FN/c1-6-3-2-4-7(5-8)9-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine?
(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 67991648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).