2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid

C10H9FO3 — CID 175017346

IUPAC2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccccc1OCF
InChIInChI=1S/C10H9FO3/c1-7(10(12)13)8-4-2-3-5-9(8)14-6-11/h2-5H,1,6H2,(H,12,13)
InChIKeyILZVKMCFFGCOQP-UHFFFAOYSA-N
MW196.18 g/mol
LogP2.09
Rot. Bonds4

About 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid

2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid (PubChem CID 175017346) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid
PubChem CID175017346
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccccc1OCF
InChIInChI=1S/C10H9FO3/c1-7(10(12)13)8-4-2-3-5-9(8)14-6-11/h2-5H,1,6H2,(H,12,13)
InChIKeyILZVKMCFFGCOQP-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid
CID 67781302
2-[2-[2-(1-carboxyethenyl)phenyl]phenyl]prop-2-enoic acid
CID 91538841
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
2-(2-benzoylphenyl)prop-2-enoic acid
CID 69164907
tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate
CID 174495508
CID 70191473
CID 70191473
2-[2-(2-oxoethyl)phenyl]prop-2-enoic acid
CID 123926990
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-(2-phenylprop-2-enoyloxy)benzoic acid
CID 175331821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid (CID 175017346) is 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid is C=C(C(=O)O)c1ccccc1OCF.
What is the InChIKey of 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid?
The InChIKey is ILZVKMCFFGCOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-7(10(12)13)8-4-2-3-5-9(8)14-6-11/h2-5H,1,6H2,(H,12,13).
What are the key properties of 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid?
2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid has a molecular weight of 196.18 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 175017346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).