2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene

C14H9F — CID 71504862

IUPAC2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene
SMILESC#C/C(F)=C\c1ccc2ccccc2c1
InChIInChI=1S/C14H9F/c1-2-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h1,3-10H/b14-10+
InChIKeyYBOAOSNZXTXEIC-GXDHUFHOSA-N
MW196.22 g/mol
LogP3.78
Rot. Bonds1

About 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene

2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene (PubChem CID 71504862) has the molecular formula C14H9F and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene
PubChem CID71504862
Molecular FormulaC14H9F
Molecular Weight196.22 g/mol
Exact Mass196.07
IUPAC Name2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene
SMILESC#C/C(F)=C\c1ccc2ccccc2c1
InChIInChI=1S/C14H9F/c1-2-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h1,3-10H/b14-10+
InChIKeyYBOAOSNZXTXEIC-GXDHUFHOSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-2-fluoroethenyl)naphthalene
CID 71421108
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CID 171111326
(E)-1-naphthalen-2-ylprop-1-en-2-amine
CID 20741960
2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
CID 171662067
(Z)-2-fluoro-3-naphthalen-2-yl-1-phenylprop-2-en-1-ol
CID 11482836
4,4-dimethyl-2-(naphthalen-2-ylmethylidene)-3-oxopentanenitrile
CID 4099815
trimethyl-(2-naphthalen-2-yl-1-trimethylsilylethenyl)silane
CID 101475469
(E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one
CID 10062374
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-naphthalen-2-ylethenol
CID 67195423
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
(E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine
CID 103091933

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene?
The IUPAC name of 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene (CID 71504862) is 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene?
The canonical SMILES for 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene is C#C/C(F)=C\c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene?
The InChIKey is YBOAOSNZXTXEIC-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H9F/c1-2-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h1,3-10H/b14-10+.
What are the key properties of 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene?
2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene has a molecular weight of 196.22 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene is sourced from PubChem (CID 71504862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).