8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid

C11H10F2O2 — CID 84678898

IUPAC8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(F)(F)CCC2
InChIInChI=1S/C11H10F2O2/c12-11(13)5-1-2-7-3-4-8(10(14)15)6-9(7)11/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyIQASQCXUIUSRSJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.81
Rot. Bonds1

About 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid

8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid (PubChem CID 84678898) has the molecular formula C11H10F2O2 and a molecular weight of 212.20 g/mol. Its IUPAC name is 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid
PubChem CID84678898
Molecular FormulaC11H10F2O2
Molecular Weight212.20 g/mol
Exact Mass212.06
IUPAC Name8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(F)(F)CCC2
InChIInChI=1S/C11H10F2O2/c12-11(13)5-1-2-7-3-4-8(10(14)15)6-9(7)11/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyIQASQCXUIUSRSJ-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The IUPAC name of 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid (CID 84678898) is 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The canonical SMILES for 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(F)(F)CCC2.
What is the InChIKey of 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The InChIKey is IQASQCXUIUSRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-11(13)5-1-2-7-3-4-8(10(14)15)6-9(7)11/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 84678898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).