2,7-dichloro-9H-fluorene-4-carboxylic acid

C14H8Cl2O2 — CID 86222541

IUPAC2,7-dichloro-9H-fluorene-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2
InChIInChI=1S/C14H8Cl2O2/c15-9-1-2-11-7(4-9)3-8-5-10(16)6-12(13(8)11)14(17)18/h1-2,4-6H,3H2,(H,17,18)
InChIKeyDVRSTEOFKCASHZ-UHFFFAOYSA-N
MW279.12 g/mol
LogP4.26
Rot. Bonds1

About 2,7-dichloro-9H-fluorene-4-carboxylic acid

2,7-dichloro-9H-fluorene-4-carboxylic acid (PubChem CID 86222541) has the molecular formula C14H8Cl2O2 and a molecular weight of 279.12 g/mol. Its IUPAC name is 2,7-dichloro-9H-fluorene-4-carboxylic acid.

Molecular Properties

Compound Name2,7-dichloro-9H-fluorene-4-carboxylic acid
PubChem CID86222541
Molecular FormulaC14H8Cl2O2
Molecular Weight279.12 g/mol
Exact Mass277.99
IUPAC Name2,7-dichloro-9H-fluorene-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2
InChIInChI=1S/C14H8Cl2O2/c15-9-1-2-11-7(4-9)3-8-5-10(16)6-12(13(8)11)14(17)18/h1-2,4-6H,3H2,(H,17,18)
InChIKeyDVRSTEOFKCASHZ-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-9H-fluorene-4-carboxylic acid?
The IUPAC name of 2,7-dichloro-9H-fluorene-4-carboxylic acid (CID 86222541) is 2,7-dichloro-9H-fluorene-4-carboxylic acid.
What is the SMILES notation for 2,7-dichloro-9H-fluorene-4-carboxylic acid?
The canonical SMILES for 2,7-dichloro-9H-fluorene-4-carboxylic acid is O=C(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2.
What is the InChIKey of 2,7-dichloro-9H-fluorene-4-carboxylic acid?
The InChIKey is DVRSTEOFKCASHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O2/c15-9-1-2-11-7(4-9)3-8-5-10(16)6-12(13(8)11)14(17)18/h1-2,4-6H,3H2,(H,17,18).
What are the key properties of 2,7-dichloro-9H-fluorene-4-carboxylic acid?
2,7-dichloro-9H-fluorene-4-carboxylic acid has a molecular weight of 279.12 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-9H-fluorene-4-carboxylic acid is sourced from PubChem (CID 86222541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).