[2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite

C16H17FO — CID 143947874

IUPAC[2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite
SMILESC=C/C=C(\C=C)Cc1cc(C)c(OF)c(C=C)c1
InChIInChI=1S/C16H17FO/c1-5-8-13(6-2)10-14-9-12(4)16(18-17)15(7-3)11-14/h5-9,11H,1-3,10H2,4H3/b13-8+
InChIKeyHZTXCSIDIYZBME-MDWZMJQESA-N
MW244.31 g/mol
LogP4.74
Rot. Bonds6

About [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite

[2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite (PubChem CID 143947874) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite.

Molecular Properties

Compound Name[2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite
PubChem CID143947874
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name[2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite
SMILESC=C/C=C(\C=C)Cc1cc(C)c(OF)c(C=C)c1
InChIInChI=1S/C16H17FO/c1-5-8-13(6-2)10-14-9-12(4)16(18-17)15(7-3)11-14/h5-9,11H,1-3,10H2,4H3/b13-8+
InChIKeyHZTXCSIDIYZBME-MDWZMJQESA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
CID 143940150
1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene
CID 156737958
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline
CID 143380656
ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane
CID 142853630
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
CID 142908128
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine
CID 145149493
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 142302084
(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine
CID 143978564
1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene
CID 19994174

Frequently Asked Questions

What is the IUPAC name of [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite?
The IUPAC name of [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite (CID 143947874) is [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite.
What is the SMILES notation for [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite?
The canonical SMILES for [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite is C=C/C=C(\C=C)Cc1cc(C)c(OF)c(C=C)c1.
What is the InChIKey of [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite?
The InChIKey is HZTXCSIDIYZBME-MDWZMJQESA-N. The full InChI is InChI=1S/C16H17FO/c1-5-8-13(6-2)10-14-9-12(4)16(18-17)15(7-3)11-14/h5-9,11H,1-3,10H2,4H3/b13-8+.
What are the key properties of [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite?
[2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite has a molecular weight of 244.31 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethenyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-methylphenyl] hypofluorite is sourced from PubChem (CID 143947874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).