4-(fluoromethoxy)benzoic acid

C8H7FO3 — CID 21180271

IUPAC4-(fluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCF)cc1
InChIInChI=1S/C8H7FO3/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyYJDLLZWLIZBXMQ-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.69
Rot. Bonds3

About 4-(fluoromethoxy)benzoic acid

4-(fluoromethoxy)benzoic acid (PubChem CID 21180271) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 4-(fluoromethoxy)benzoic acid.

Molecular Properties

Compound Name4-(fluoromethoxy)benzoic acid
PubChem CID21180271
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name4-(fluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCF)cc1
InChIInChI=1S/C8H7FO3/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyYJDLLZWLIZBXMQ-UHFFFAOYSA-N
XLogP1.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(fluoromethoxy)benzoic 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

4-(3-fluoro-2-hydroxypropoxy)benzoic acid
CID 155165109
4-[(Z)-4-(4-carboxyphenoxy)but-2-enoxy]benzoic acid
CID 90083122
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
4-phenylmethoxybenzoic acid
CID 68896574
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
terephthalic acid
CID 160582437

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethoxy)benzoic acid?
The IUPAC name of 4-(fluoromethoxy)benzoic acid (CID 21180271) is 4-(fluoromethoxy)benzoic acid.
What is the SMILES notation for 4-(fluoromethoxy)benzoic acid?
The canonical SMILES for 4-(fluoromethoxy)benzoic acid is O=C(O)c1ccc(OCF)cc1.
What is the InChIKey of 4-(fluoromethoxy)benzoic acid?
The InChIKey is YJDLLZWLIZBXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 4-(fluoromethoxy)benzoic acid?
4-(fluoromethoxy)benzoic acid has a molecular weight of 170.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethoxy)benzoic acid is sourced from PubChem (CID 21180271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).