(Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid

C9H2F6O2 — CID 169087970

IUPAC(Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H2F6O2/c10-3(9(16)17)1-2-4(11)6(13)8(15)7(14)5(2)12/h1H,(H,16,17)/b3-1-
InChIKeyFISSHPGZJZWYGH-IWQZZHSRSA-N
MW256.10 g/mol
LogP2.78
Rot. Bonds2

About (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid

(Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid (PubChem CID 169087970) has the molecular formula C9H2F6O2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid
PubChem CID169087970
Molecular FormulaC9H2F6O2
Molecular Weight256.10 g/mol
Exact Mass256.00
IUPAC Name(Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H2F6O2/c10-3(9(16)17)1-2-4(11)6(13)8(15)7(14)5(2)12/h1H,(H,16,17)/b3-1-
InChIKeyFISSHPGZJZWYGH-IWQZZHSRSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid (CID 169087970) is (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid is O=C(O)/C(F)=C/c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid?
The InChIKey is FISSHPGZJZWYGH-IWQZZHSRSA-N. The full InChI is InChI=1S/C9H2F6O2/c10-3(9(16)17)1-2-4(11)6(13)8(15)7(14)5(2)12/h1H,(H,16,17)/b3-1-.
What are the key properties of (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid?
(Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid has a molecular weight of 256.10 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid is sourced from PubChem (CID 169087970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).