9,9-difluorofluorene-2,7-dicarboxylic acid

C15H8F2O4 — CID 11140816

IUPAC9,9-difluorofluorene-2,7-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(F)(F)c1cc(C(=O)O)ccc1-2
InChIInChI=1S/C15H8F2O4/c16-15(17)11-5-7(13(18)19)1-3-9(11)10-4-2-8(14(20)21)6-12(10)15/h1-6H,(H,18,19)(H,20,21)
InChIKeyXEMCZXZLVCRHNL-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.20
Rot. Bonds2

About 9,9-difluorofluorene-2,7-dicarboxylic acid

9,9-difluorofluorene-2,7-dicarboxylic acid (PubChem CID 11140816) has the molecular formula C15H8F2O4 and a molecular weight of 290.22 g/mol. Its IUPAC name is 9,9-difluorofluorene-2,7-dicarboxylic acid.

Molecular Properties

Compound Name9,9-difluorofluorene-2,7-dicarboxylic acid
PubChem CID11140816
Molecular FormulaC15H8F2O4
Molecular Weight290.22 g/mol
Exact Mass290.04
IUPAC Name9,9-difluorofluorene-2,7-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(F)(F)c1cc(C(=O)O)ccc1-2
InChIInChI=1S/C15H8F2O4/c16-15(17)11-5-7(13(18)19)1-3-9(11)10-4-2-8(14(20)21)6-12(10)15/h1-6H,(H,18,19)(H,20,21)
InChIKeyXEMCZXZLVCRHNL-UHFFFAOYSA-N
XLogP3.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9,9-difluorofluoren-2-yl)ethanone
CID 145082433
3-fluoro-4-(2,4,5-trifluorophenyl)benzoic acid
CID 115503073
9,9-dihexylfluorene-2,7-dicarboxylic acid
CID 23089428
8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 84678898
2,2,4,4-tetrafluoro-1,3-benzodioxine-6-carboxylic acid
CID 154306048
5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid
CID 135305382
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)benzoic acid
CID 134620174
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
ethene;terephthalic acid
CID 18755810
oxophosphane;terephthalic acid
CID 175391404

Frequently Asked Questions

What is the IUPAC name of 9,9-difluorofluorene-2,7-dicarboxylic acid?
The IUPAC name of 9,9-difluorofluorene-2,7-dicarboxylic acid (CID 11140816) is 9,9-difluorofluorene-2,7-dicarboxylic acid.
What is the SMILES notation for 9,9-difluorofluorene-2,7-dicarboxylic acid?
The canonical SMILES for 9,9-difluorofluorene-2,7-dicarboxylic acid is O=C(O)c1ccc2c(c1)C(F)(F)c1cc(C(=O)O)ccc1-2.
What is the InChIKey of 9,9-difluorofluorene-2,7-dicarboxylic acid?
The InChIKey is XEMCZXZLVCRHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2O4/c16-15(17)11-5-7(13(18)19)1-3-9(11)10-4-2-8(14(20)21)6-12(10)15/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 9,9-difluorofluorene-2,7-dicarboxylic acid?
9,9-difluorofluorene-2,7-dicarboxylic acid has a molecular weight of 290.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluorofluorene-2,7-dicarboxylic acid is sourced from PubChem (CID 11140816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).