4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine

C9H12FNO — CID 163929275

IUPAC4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine
SMILESC=C/C(=C/F)OC1=CCNCC1
InChIInChI=1S/C9H12FNO/c1-2-8(7-10)12-9-3-5-11-6-4-9/h2-3,7,11H,1,4-6H2/b8-7-
InChIKeyRHHNOUUVSDJFCS-FPLPWBNLSA-N
MW169.20 g/mol
LogP1.88
Rot. Bonds3

About 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine

4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine (PubChem CID 163929275) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine
PubChem CID163929275
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine
SMILESC=C/C(=C/F)OC1=CCNCC1
InChIInChI=1S/C9H12FNO/c1-2-8(7-10)12-9-3-5-11-6-4-9/h2-3,7,11H,1,4-6H2/b8-7-
InChIKeyRHHNOUUVSDJFCS-FPLPWBNLSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2H-pyran-6-yl)ethanamine
CID 139471600

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine (CID 163929275) is 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine is C=C/C(=C/F)OC1=CCNCC1.
What is the InChIKey of 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine?
The InChIKey is RHHNOUUVSDJFCS-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-8(7-10)12-9-3-5-11-6-4-9/h2-3,7,11H,1,4-6H2/b8-7-.
What are the key properties of 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine?
4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine has a molecular weight of 169.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]oxy-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 163929275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).