2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid

C10H2F8O2 — CID 164576966

IUPAC2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F
InChIInChI=1S/C10H2F8O2/c11-4-1-2(5(12)7(14)6(4)13)9(15,16)10(17,18)3(1)8(19)20/h3H,(H,19,20)
InChIKeyBUSBUCZGGZEDRV-UHFFFAOYSA-N
MW306.11 g/mol
LogP3.15
Rot. Bonds1

About 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid

2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid (PubChem CID 164576966) has the molecular formula C10H2F8O2 and a molecular weight of 306.11 g/mol. Its IUPAC name is 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid
PubChem CID164576966
Molecular FormulaC10H2F8O2
Molecular Weight306.11 g/mol
Exact Mass305.99
IUPAC Name2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F
InChIInChI=1S/C10H2F8O2/c11-4-1-2(5(12)7(14)6(4)13)9(15,16)10(17,18)3(1)8(19)20/h3H,(H,19,20)
InChIKeyBUSBUCZGGZEDRV-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 53.15
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic 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

1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
(Pentafluorophenyl)acetic acid
CID 69553
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid
CID 283339
6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 25023574
Benzeneacetic acid, 2,3,4,5,6-pentafluoro-alpha-methyl-
CID 5743473
(1S)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 11275176
5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 21986118
4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 55264514
5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid
CID 59207552
4-Fluoro-indan-2-carboxylic acid
CID 68878048
5-Fluoro-2,3-dihydro-1H-indene-2-carboxylic acid
CID 21986141

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid?
The IUPAC name of 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid (CID 164576966) is 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid?
The canonical SMILES for 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid is O=C(O)C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid?
The InChIKey is BUSBUCZGGZEDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F8O2/c11-4-1-2(5(12)7(14)6(4)13)9(15,16)10(17,18)3(1)8(19)20/h3H,(H,19,20).
What are the key properties of 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid?
2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid has a molecular weight of 306.11 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,6,7-octafluoro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 164576966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).