1,2-difluorobenzene;ethenyl formate

C9H8F2O2 — CID 175281370

IUPAC1,2-difluorobenzene;ethenyl formate
SMILESC=COC=O.Fc1ccccc1F
InChIInChI=1S/C6H4F2.C3H4O2/c7-5-3-1-2-4-6(5)8;1-2-5-3-4/h1-4H;2-3H,1H2
InChIKeyCUYUUMBWZKAYOB-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.27
Rot. Bonds2

About 1,2-difluorobenzene;ethenyl formate

1,2-difluorobenzene;ethenyl formate (PubChem CID 175281370) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 1,2-difluorobenzene;ethenyl formate.

Molecular Properties

Compound Name1,2-difluorobenzene;ethenyl formate
PubChem CID175281370
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name1,2-difluorobenzene;ethenyl formate
SMILESC=COC=O.Fc1ccccc1F
InChIInChI=1S/C6H4F2.C3H4O2/c7-5-3-1-2-4-6(5)8;1-2-5-3-4/h1-4H;2-3H,1H2
InChIKeyCUYUUMBWZKAYOB-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;ethenyl formate
CID 160928182
bromobenzene;ethenyl formate
CID 158493216
formyl formate;naphthalene;hydrobromide
CID 174587967
cyclopropane;1,2-difluorobenzene;formic acid
CID 145194538
1,2-difluorobenzene;hydrazine;hydrobromide
CID 174886946
formyl formate;hydrate
CID 158985007
2-ethenyl-3-fluorobenzaldehyde
CID 86657571
(3-fluoro-2-formylphenoxy)boronic acid
CID 163404826
2-fluoroaniline;formic acid
CID 158878757
anisole;ethenoxyethene
CID 159837572
(2-fluorophenoxy)boronic acid
CID 22237831
ethenoxyethene;ethenyl benzenesulfonate
CID 175360719

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorobenzene;ethenyl formate?
The IUPAC name of 1,2-difluorobenzene;ethenyl formate (CID 175281370) is 1,2-difluorobenzene;ethenyl formate.
What is the SMILES notation for 1,2-difluorobenzene;ethenyl formate?
The canonical SMILES for 1,2-difluorobenzene;ethenyl formate is C=COC=O.Fc1ccccc1F.
What is the InChIKey of 1,2-difluorobenzene;ethenyl formate?
The InChIKey is CUYUUMBWZKAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.C3H4O2/c7-5-3-1-2-4-6(5)8;1-2-5-3-4/h1-4H;2-3H,1H2.
What are the key properties of 1,2-difluorobenzene;ethenyl formate?
1,2-difluorobenzene;ethenyl formate has a molecular weight of 186.16 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorobenzene;ethenyl formate is sourced from PubChem (CID 175281370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).