(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid

C10H9FO2 — CID 131513172

IUPAC(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C/c1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H9FO2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)/b7-5-
InChIKeyXHQBMLNHIBPVJI-ALCCZGGFSA-N
MW180.18 g/mol
LogP2.31
Rot. Bonds2

About (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid

(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid (PubChem CID 131513172) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
PubChem CID131513172
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C/c1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H9FO2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)/b7-5-
InChIKeyXHQBMLNHIBPVJI-ALCCZGGFSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-fluorophenyl)-2-methylprop-2-enamide
CID 143272339
2-methyl-3-(3-phenylphenyl)prop-2-enoic acid
CID 68509720
(E)-3-(3-aminophenyl)-2-methylprop-2-enoic acid
CID 15103268
(2Z)-2-[(3-fluorophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 87902667
(E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid
CID 170873482
(E)-3-(3-ethylphenyl)-2-methylprop-2-enoic acid
CID 135263218
2-[[(E)-3-(3-fluorophenyl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 23292097
(Z)-3-(3-fluorophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83952444
(Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid
CID 83952437
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid
CID 55255383
3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid
CID 79984292

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid (CID 131513172) is (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid is C/C(=C/c1cccc(F)c1)C(=O)O.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid?
The InChIKey is XHQBMLNHIBPVJI-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H9FO2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)/b7-5-.
What are the key properties of (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid?
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid has a molecular weight of 180.18 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 131513172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).