(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid

C10H8F2O2 — CID 22292345

IUPAC(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C10H8F2O2/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-5H,1H3,(H,13,14)/b6-4+
InChIKeyOXMLWMPAXKIWJK-GQCTYLIASA-N
MW198.17 g/mol
LogP2.45
Rot. Bonds2

About (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid

(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid (PubChem CID 22292345) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid
PubChem CID22292345
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C10H8F2O2/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-5H,1H3,(H,13,14)/b6-4+
InChIKeyOXMLWMPAXKIWJK-GQCTYLIASA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.45
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

(E)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enoic acid
CID 170873493
(E)-2-acetamido-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 96843017
(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid
CID 170873034
1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
(E)-3-[3,4-bis[(E)-2-carboxyprop-1-enyl]phenyl]-2-methylprop-2-enoic acid
CID 23193063
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
(E)-3-[4,5-difluoro-2-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid
CID 170873401
(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid
CID 18785337
(E)-3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 170873526
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
4-fluorobenzaldehyde;3-(4-fluorophenyl)-2-methylprop-2-enoic acid
CID 159204345

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid (CID 22292345) is (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid is C/C(=C\c1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid?
The InChIKey is OXMLWMPAXKIWJK-GQCTYLIASA-N. The full InChI is InChI=1S/C10H8F2O2/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-5H,1H3,(H,13,14)/b6-4+.
What are the key properties of (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid?
(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid has a molecular weight of 198.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 22292345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).