acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene

C8H7FO2 — CID 70121548

IUPACacetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCC(=O)O.Fc1cc2cc-2c1
InChIInChI=1S/C6H3F.C2H4O2/c7-6-2-4-1-5(4)3-6;1-2(3)4/h1-3H;1H3,(H,3,4)
InChIKeyQMFSWJWTGQYJJZ-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.90
Rot. Bonds

About acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene

acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 70121548) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Nameacetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID70121548
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Nameacetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCC(=O)O.Fc1cc2cc-2c1
InChIInChI=1S/C6H3F.C2H4O2/c7-6-2-4-1-5(4)3-6;1-2(3)4/h1-3H;1H3,(H,3,4)
InChIKeyQMFSWJWTGQYJJZ-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene (CID 70121548) is acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene is CC(=O)O.Fc1cc2cc-2c1.
What is the InChIKey of acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is QMFSWJWTGQYJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F.C2H4O2/c7-6-2-4-1-5(4)3-6;1-2(3)4/h1-3H;1H3,(H,3,4).
What are the key properties of acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene?
acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 154.14 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 70121548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).