(3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine

C6H8FN — CID 148603751

IUPAC(3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine
SMILESC=C1N=CCC[C@@H]1F
InChIInChI=1S/C6H8FN/c1-5-6(7)3-2-4-8-5/h4,6H,1-3H2/t6-/m0/s1
InChIKeyNCZUKKLMQVQEKC-LURJTMIESA-N
MW113.14 g/mol
LogP1.70
Rot. Bonds

About (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine

(3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine (PubChem CID 148603751) has the molecular formula C6H8FN and a molecular weight of 113.14 g/mol. Its IUPAC name is (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine.

Molecular Properties

Compound Name(3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine
PubChem CID148603751
Molecular FormulaC6H8FN
Molecular Weight113.14 g/mol
Exact Mass113.06
IUPAC Name(3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine
SMILESC=C1N=CCC[C@@H]1F
InChIInChI=1S/C6H8FN/c1-5-6(7)3-2-4-8-5/h4,6H,1-3H2/t6-/m0/s1
InChIKeyNCZUKKLMQVQEKC-LURJTMIESA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine?
The IUPAC name of (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine (CID 148603751) is (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine.
What is the SMILES notation for (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine?
The canonical SMILES for (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine is C=C1N=CCC[C@@H]1F.
What is the InChIKey of (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine?
The InChIKey is NCZUKKLMQVQEKC-LURJTMIESA-N. The full InChI is InChI=1S/C6H8FN/c1-5-6(7)3-2-4-8-5/h4,6H,1-3H2/t6-/m0/s1.
What are the key properties of (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine?
(3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine has a molecular weight of 113.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine is sourced from PubChem (CID 148603751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).