6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid

C13H8F2O5 — CID 11119535

IUPAC6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(OC(F)(F)C(=O)O)ccc2c1
InChIInChI=1S/C13H8F2O5/c14-13(15,12(18)19)20-10-4-3-7-5-9(11(16)17)2-1-8(7)6-10/h1-6H,(H,16,17)(H,18,19)
InChIKeyIQBPHWLXBGDCII-UHFFFAOYSA-N
MW282.20 g/mol
LogP2.59
Rot. Bonds4

About 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid

6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid (PubChem CID 11119535) has the molecular formula C13H8F2O5 and a molecular weight of 282.20 g/mol. Its IUPAC name is 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid
PubChem CID11119535
Molecular FormulaC13H8F2O5
Molecular Weight282.20 g/mol
Exact Mass282.03
IUPAC Name6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(OC(F)(F)C(=O)O)ccc2c1
InChIInChI=1S/C13H8F2O5/c14-13(15,12(18)19)20-10-4-3-7-5-9(11(16)17)2-1-8(7)6-10/h1-6H,(H,16,17)(H,18,19)
InChIKeyIQBPHWLXBGDCII-UHFFFAOYSA-N
XLogP2.59
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-2-Naphthoic Acid
CID 349181
4'-Trifluoromethoxy-biphenyl-3-carboxylic acid
CID 2760722
6-(Acetyloxy)-2-naphthalenecarboxylic acid
CID 87038
2-Methyl-4-[4-methoxy-3-(5-phenylpentyloxy)phenyl]benzoic acid
CID 9822515
4'-(2-Butoxyethoxy)-2',5'-dimethyl[1,1'-biphenyl]-4-carboxylic acid
CID 15952020
7-(Benzyloxy)-4-phenyl-2-naphthoic acid
CID 19027172
2-[4-[4-[[2-[(2-Methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]acetic acid
CID 67119028
(4'-{[2-(tert-Butoxycarbonyl)-4-(trifluoromethyl)benzyl]oxy}-1,1'-biphenyl-3-yl)acetic acid
CID 67119206
4-(6-Methoxynaphthalen-2-yl)-4-oxobutanoic acid
CID 240466
6,7-Dimethoxy-2-naphthoic acid
CID 283028
4'-Trifluoromethoxy-biphenyl-4-carboxylic acid
CID 2760723
Methyl 7-methoxynaphthalene-2-carboxylate
CID 10082020

Frequently Asked Questions

What is the IUPAC name of 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid (CID 11119535) is 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(OC(F)(F)C(=O)O)ccc2c1.
What is the InChIKey of 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid?
The InChIKey is IQBPHWLXBGDCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O5/c14-13(15,12(18)19)20-10-4-3-7-5-9(11(16)17)2-1-8(7)6-10/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid?
6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid has a molecular weight of 282.20 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[carboxy(difluoro)methoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 11119535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).