5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine

C16H16FNO — CID 134541930

IUPAC5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine
SMILESFc1ccc(/C=C\CCOCc2ccccc2)nc1
InChIInChI=1S/C16H16FNO/c17-15-9-10-16(18-12-15)8-4-5-11-19-13-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2/b8-4-
InChIKeyLILTZBJQDBKGBN-YWEYNIOJSA-N
MW257.31 g/mol
LogP3.84
Rot. Bonds6

About 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine

5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine (PubChem CID 134541930) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine
PubChem CID134541930
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine
SMILESFc1ccc(/C=C\CCOCc2ccccc2)nc1
InChIInChI=1S/C16H16FNO/c17-15-9-10-16(18-12-15)8-4-5-11-19-13-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2/b8-4-
InChIKeyLILTZBJQDBKGBN-YWEYNIOJSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol
CID 142703348
1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
CID 11579619
methyl (Z)-3-(5-fluoro-2-pyridinyl)-2-(phenylmethoxycarbonylamino)prop-2-enoate
CID 118470031
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
2-iodoethoxymethylbenzene
CID 10355314
6-amino-4-(4-fluorophenyl)-5-[(E)-4-phenylmethoxybut-1-enyl]-2-propan-2-ylpyridine-3-carboxylic acid
CID 69314181
4-bromo-2-[(E)-4-phenylmethoxybut-1-enyl]phenol;ethane
CID 143771416
(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
CID 163205191
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine?
The IUPAC name of 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine (CID 134541930) is 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine.
What is the SMILES notation for 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine?
The canonical SMILES for 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine is Fc1ccc(/C=C\CCOCc2ccccc2)nc1.
What is the InChIKey of 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine?
The InChIKey is LILTZBJQDBKGBN-YWEYNIOJSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-9-10-16(18-12-15)8-4-5-11-19-13-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2/b8-4-.
What are the key properties of 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine?
5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine has a molecular weight of 257.31 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine is sourced from PubChem (CID 134541930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).