3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid

C10H7F7O2 — CID 174624593

IUPAC3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
SMILESO=C(O)C(=CF)C1(F)C(F)C2C(F)C(F)C1(F)C2F
InChIInChI=1S/C10H7F7O2/c11-1-2(8(18)19)9(16)5(13)3-4(12)7(15)10(9,17)6(3)14/h1,3-7H,(H,18,19)
InChIKeyQLDOOAISAFGPLC-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.34
Rot. Bonds2

About 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid

3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid (PubChem CID 174624593) has the molecular formula C10H7F7O2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
PubChem CID174624593
Molecular FormulaC10H7F7O2
Molecular Weight292.15 g/mol
Exact Mass292.03
IUPAC Name3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
SMILESO=C(O)C(=CF)C1(F)C(F)C2C(F)C(F)C1(F)C2F
InChIInChI=1S/C10H7F7O2/c11-1-2(8(18)19)9(16)5(13)3-4(12)7(15)10(9,17)6(3)14/h1,3-7H,(H,18,19)
InChIKeyQLDOOAISAFGPLC-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The IUPAC name of 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid (CID 174624593) is 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid.
What is the SMILES notation for 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The canonical SMILES for 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid is O=C(O)C(=CF)C1(F)C(F)C2C(F)C(F)C1(F)C2F.
What is the InChIKey of 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
The InChIKey is QLDOOAISAFGPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7O2/c11-1-2(8(18)19)9(16)5(13)3-4(12)7(15)10(9,17)6(3)14/h1,3-7H,(H,18,19).
What are the key properties of 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid?
3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid has a molecular weight of 292.15 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1,2,3,5,6,7-hexafluoro-2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid is sourced from PubChem (CID 174624593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).