anisole;2-fluoroacetic acid

C9H11FO3 — CID 160781746

IUPACanisole;2-fluoroacetic acid
SMILESCOc1ccccc1.O=C(O)CF
InChIInChI=1S/C7H8O.C2H3FO2/c1-8-7-5-3-2-4-6-7;3-1-2(4)5/h2-6H,1H3;1H2,(H,4,5)
InChIKeySARCTCGVWHJICH-UHFFFAOYSA-N
MW186.18 g/mol
LogP1.74
Rot. Bonds2

About anisole;2-fluoroacetic acid

anisole;2-fluoroacetic acid (PubChem CID 160781746) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is anisole;2-fluoroacetic acid.

Molecular Properties

Compound Nameanisole;2-fluoroacetic acid
PubChem CID160781746
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Nameanisole;2-fluoroacetic acid
SMILESCOc1ccccc1.O=C(O)CF
InChIInChI=1S/C7H8O.C2H3FO2/c1-8-7-5-3-2-4-6-7;3-1-2(4)5/h2-6H,1H3;1H2,(H,4,5)
InChIKeySARCTCGVWHJICH-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze anisole;2-fluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

anisole;ethane;propan-2-one
CID 164986667
anisole;butan-2-one
CID 67379528
anisole;2,2,2-trifluoroacetic acid
CID 66633105
anisole;propanamide
CID 159387798
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
anisole;guanidine
CID 172735542
anisole;argon;propane
CID 165043377
anisole;trifluoroborane
CID 174665057
acetylene;anisole
CID 86033716
anisole;2-sulfanylpropanoic acid
CID 88749796

Frequently Asked Questions

What is the IUPAC name of anisole;2-fluoroacetic acid?
The IUPAC name of anisole;2-fluoroacetic acid (CID 160781746) is anisole;2-fluoroacetic acid.
What is the SMILES notation for anisole;2-fluoroacetic acid?
The canonical SMILES for anisole;2-fluoroacetic acid is COc1ccccc1.O=C(O)CF.
What is the InChIKey of anisole;2-fluoroacetic acid?
The InChIKey is SARCTCGVWHJICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H3FO2/c1-8-7-5-3-2-4-6-7;3-1-2(4)5/h2-6H,1H3;1H2,(H,4,5).
What are the key properties of anisole;2-fluoroacetic acid?
anisole;2-fluoroacetic acid has a molecular weight of 186.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-fluoroacetic acid is sourced from PubChem (CID 160781746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).