carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene

C9H9FO3 — CID 66653166

IUPACcarbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene
SMILESC=C.Fc1ccc2cc1-2.O=C(O)O
InChIInChI=1S/C6H3F.C2H4.CH2O3/c7-6-2-1-4-3-5(4)6;1-2;2-1(3)4/h1-3H;1-2H2;(H2,2,3,4)
InChIKeyHWMIXWAMDSQTOL-UHFFFAOYSA-N
MW184.17 g/mol
LogP2.83
Rot. Bonds

About carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene

carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 66653166) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Namecarbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID66653166
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namecarbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene
SMILESC=C.Fc1ccc2cc1-2.O=C(O)O
InChIInChI=1S/C6H3F.C2H4.CH2O3/c7-6-2-1-4-3-5(4)6;1-2;2-1(3)4/h1-3H;1-2H2;(H2,2,3,4)
InChIKeyHWMIXWAMDSQTOL-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene (CID 66653166) is carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene is C=C.Fc1ccc2cc1-2.O=C(O)O.
What is the InChIKey of carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is HWMIXWAMDSQTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F.C2H4.CH2O3/c7-6-2-1-4-3-5(4)6;1-2;2-1(3)4/h1-3H;1-2H2;(H2,2,3,4).
What are the key properties of carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene?
carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 184.17 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethene;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 66653166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).