3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid

C11H11FO2 — CID 79726802

IUPAC3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid
SMILESCCc1ccc(C=C(F)C(=O)O)cc1
InChIInChI=1S/C11H11FO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyNOLDTBXMYGAGBL-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.64
Rot. Bonds3

About 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid

3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid (PubChem CID 79726802) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid
PubChem CID79726802
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid
SMILESCCc1ccc(C=C(F)C(=O)O)cc1
InChIInChI=1S/C11H11FO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyNOLDTBXMYGAGBL-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.64
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

2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
CID 54302276
(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
CID 83953215
2-ethoxy-3-(4-ethylphenyl)prop-2-enoic acid
CID 139651424
1-ethyl-4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
CID 125477277
(E)-2-(4-ethylphenyl)-3-phenylprop-2-enoic acid
CID 125466600
1-(2,2-dichloroethenyl)-4-ethylbenzene
CID 150384278
3-[4-(3-ethoxy-2-fluoro-3-oxoprop-1-enyl)phenyl]propanoic acid
CID 54391840
3-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroprop-2-enoic acid
CID 67567650
(Z)-3-(4-ethylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83953224
(E)-3-(3-chloro-4-methylphenyl)-2-fluoroprop-2-enoic acid
CID 106817799
ethyl (E)-3-(4-ethylphenyl)-2-methylprop-2-enoate
CID 104503609
3-(1-ethylpyrrol-2-yl)-2-fluoroprop-2-enoic acid
CID 79726924

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid?
The IUPAC name of 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid (CID 79726802) is 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid?
The canonical SMILES for 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid is CCc1ccc(C=C(F)C(=O)O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid?
The InChIKey is NOLDTBXMYGAGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid?
3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid has a molecular weight of 194.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid is sourced from PubChem (CID 79726802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).