2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid

C9H3F5O2 — CID 53425745

IUPAC2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
SMILESO=C(O)C(F)=C(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H3F5O2/c10-4-2-1-3(5(11)7(4)13)6(12)8(14)9(15)16/h1-2H,(H,15,16)
InChIKeyVKXWVYSJVCRITA-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.80
Rot. Bonds2

About 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid

2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid (PubChem CID 53425745) has the molecular formula C9H3F5O2 and a molecular weight of 238.11 g/mol. Its IUPAC name is 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
PubChem CID53425745
Molecular FormulaC9H3F5O2
Molecular Weight238.11 g/mol
Exact Mass238.01
IUPAC Name2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
SMILESO=C(O)C(F)=C(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H3F5O2/c10-4-2-1-3(5(11)7(4)13)6(12)8(14)9(15)16/h1-2H,(H,15,16)
InChIKeyVKXWVYSJVCRITA-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene
CID 173382865
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
N,2,3,4-tetrafluorobenzamide
CID 91055455
1-(2,3,4-trifluorophenyl)prop-2-yn-1-one
CID 114978534
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637
benzamide;2,3,4-trifluorobenzoic acid
CID 158159463
2-bromo-3,4-difluorobenzoic acid
CID 22621204
(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid?
The IUPAC name of 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid (CID 53425745) is 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid.
What is the SMILES notation for 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid?
The canonical SMILES for 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid is O=C(O)C(F)=C(F)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid?
The InChIKey is VKXWVYSJVCRITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5O2/c10-4-2-1-3(5(11)7(4)13)6(12)8(14)9(15)16/h1-2H,(H,15,16).
What are the key properties of 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid?
2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid has a molecular weight of 238.11 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid is sourced from PubChem (CID 53425745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).