6,7-difluoronaphthalene-1-carboxylic acid

C11H6F2O2 — CID 10856682

IUPAC6,7-difluoronaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(F)c(F)cc12
InChIInChI=1S/C11H6F2O2/c12-9-4-6-2-1-3-7(11(14)15)8(6)5-10(9)13/h1-5H,(H,14,15)
InChIKeyNVPLEEUOFXVSAY-UHFFFAOYSA-N
MW208.16 g/mol
LogP2.82
Rot. Bonds1

About 6,7-difluoronaphthalene-1-carboxylic acid

6,7-difluoronaphthalene-1-carboxylic acid (PubChem CID 10856682) has the molecular formula C11H6F2O2 and a molecular weight of 208.16 g/mol. Its IUPAC name is 6,7-difluoronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoronaphthalene-1-carboxylic acid
PubChem CID10856682
Molecular FormulaC11H6F2O2
Molecular Weight208.16 g/mol
Exact Mass208.03
IUPAC Name6,7-difluoronaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(F)c(F)cc12
InChIInChI=1S/C11H6F2O2/c12-9-4-6-2-1-3-7(11(14)15)8(6)5-10(9)13/h1-5H,(H,14,15)
InChIKeyNVPLEEUOFXVSAY-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-iodoanthracene-1-carboxylic acid
CID 139609518
6-chloronaphthalene-1-carboxylic acid
CID 13288328
5-[(5-carboxyanthracen-1-yl)methyl]anthracene-1-carboxylic acid
CID 88959445
6-cyanonaphthalene-1-carboxylic acid
CID 22622245
7-ethynylnaphthalene-1,6-dicarboxylic acid
CID 22140191
6-ethynylnaphthalene-1-carboxylic acid
CID 22338976
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
7-borononaphthalene-1-carboxylic acid
CID 71291408
7-tert-butylnaphthalene-1-carboxylic acid
CID 130352675
6-hydrazinylnaphthalene-1-carboxylic acid
CID 150501058

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoronaphthalene-1-carboxylic acid?
The IUPAC name of 6,7-difluoronaphthalene-1-carboxylic acid (CID 10856682) is 6,7-difluoronaphthalene-1-carboxylic acid.
What is the SMILES notation for 6,7-difluoronaphthalene-1-carboxylic acid?
The canonical SMILES for 6,7-difluoronaphthalene-1-carboxylic acid is O=C(O)c1cccc2cc(F)c(F)cc12.
What is the InChIKey of 6,7-difluoronaphthalene-1-carboxylic acid?
The InChIKey is NVPLEEUOFXVSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2O2/c12-9-4-6-2-1-3-7(11(14)15)8(6)5-10(9)13/h1-5H,(H,14,15).
What are the key properties of 6,7-difluoronaphthalene-1-carboxylic acid?
6,7-difluoronaphthalene-1-carboxylic acid has a molecular weight of 208.16 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoronaphthalene-1-carboxylic acid is sourced from PubChem (CID 10856682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).