2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid

C10H3F7O2 — CID 125483910

IUPAC2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid
SMILESO=C(O)Cc1c(F)c(F)c(F)c2c1C(F)(F)C2(F)F
InChIInChI=1S/C10H3F7O2/c11-6-2(1-3(18)19)4-5(7(12)8(6)13)10(16,17)9(4,14)15/h1H2,(H,18,19)
InChIKeyCYOBXAYIZOTAIM-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.93
Rot. Bonds2

About 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid

2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid (PubChem CID 125483910) has the molecular formula C10H3F7O2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid.

Molecular Properties

Compound Name2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid
PubChem CID125483910
Molecular FormulaC10H3F7O2
Molecular Weight288.12 g/mol
Exact Mass288.00
IUPAC Name2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid
SMILESO=C(O)Cc1c(F)c(F)c(F)c2c1C(F)(F)C2(F)F
InChIInChI=1S/C10H3F7O2/c11-6-2(1-3(18)19)4-5(7(12)8(6)13)10(16,17)9(4,14)15/h1H2,(H,18,19)
InChIKeyCYOBXAYIZOTAIM-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Pentafluorophenyl)acetic acid
CID 69553
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid
CID 283339
2-[3-Fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 2759172
2,5-Bis(trifluoromethyl)phenylacetic acid
CID 2773201
Benzeneacetic acid, 2,3,4,5,6-pentafluoro-alpha-methyl-
CID 5743473
4-Fluorobicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid
CID 91647635
2,2-Difluoro-2-(3-fluoro-5-(trifluoromethyl)phenyl)acetic acid
CID 155970242
(Heptafluoronaphthalen-2-yl)acetic acid
CID 85883920
2-(Nonafluoroindan-5-yl)acetic acid
CID 125483924
2-(Undeca-fluoro-1,2,3,4-tetrahydronaphthalen-6-yl)acetic acid
CID 125484012
2,2-Dichloro-2-(heptafluoro-1,2-dihydrocyclobutabenzen-4-yl)acetic acid
CID 129743856
2,2,3,3,4,5,6,7-Octafluoroindan-1-carboxylic acid
CID 164576966

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid?
The IUPAC name of 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid (CID 125483910) is 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid.
What is the SMILES notation for 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid?
The canonical SMILES for 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid is O=C(O)Cc1c(F)c(F)c(F)c2c1C(F)(F)C2(F)F.
What is the InChIKey of 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid?
The InChIKey is CYOBXAYIZOTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F7O2/c11-6-2(1-3(18)19)4-5(7(12)8(6)13)10(16,17)9(4,14)15/h1H2,(H,18,19).
What are the key properties of 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid?
2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid has a molecular weight of 288.12 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5,7,7,8,8-heptafluoro-2-bicyclo[4.2.0]octa-1,3,5-trienyl)acetic acid is sourced from PubChem (CID 125483910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).