1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene

C10H8ClFO2 — CID 162258016

IUPAC1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene
SMILESC#COOc1ccc(Cl)c(F)c1.C=C
InChIInChI=1S/C8H4ClFO2.C2H4/c1-2-11-12-6-3-4-7(9)8(10)5-6;1-2/h1,3-5H;1-2H2
InChIKeyZYVVYMKVSSMLQN-UHFFFAOYSA-N
MW214.62 g/mol
LogP3.18
Rot. Bonds2

About 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene

1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene (PubChem CID 162258016) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene.

Molecular Properties

Compound Name1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene
PubChem CID162258016
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene
SMILESC#COOc1ccc(Cl)c(F)c1.C=C
InChIInChI=1S/C8H4ClFO2.C2H4/c1-2-11-12-6-3-4-7(9)8(10)5-6;1-2/h1,3-5H;1-2H2
InChIKeyZYVVYMKVSSMLQN-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloro-3-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 82727082
(4-chloro-3-fluorophenyl) carbonochloridate
CID 82717639
CID 67395266
CID 67395266
1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
CID 121472039
3-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 82717242
1-chloro-2-fluoro-4-(iodosylmethoxy)benzene
CID 155717110
2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
CID 82727291
1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene
CID 82706845
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
CID 103228959

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene?
The IUPAC name of 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene (CID 162258016) is 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene.
What is the SMILES notation for 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene?
The canonical SMILES for 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene is C#COOc1ccc(Cl)c(F)c1.C=C.
What is the InChIKey of 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene?
The InChIKey is ZYVVYMKVSSMLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFO2.C2H4/c1-2-11-12-6-3-4-7(9)8(10)5-6;1-2/h1,3-5H;1-2H2.
What are the key properties of 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene?
1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene has a molecular weight of 214.62 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethynylperoxy-2-fluorobenzene;ethene is sourced from PubChem (CID 162258016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).