5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C11H10F2O2 — CID 177309525

IUPAC5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2c(F)cc(F)cc2C1
InChIInChI=1S/C11H10F2O2/c12-8-4-7-3-6(11(14)15)1-2-9(7)10(13)5-8/h4-6H,1-3H2,(H,14,15)
InChIKeyLOGMPRFRIKZIIY-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.15
Rot. Bonds1

About 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 177309525) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID177309525
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2c(F)cc(F)cc2C1
InChIInChI=1S/C11H10F2O2/c12-8-4-7-3-6(11(14)15)1-2-9(7)10(13)5-8/h4-6H,1-3H2,(H,14,15)
InChIKeyLOGMPRFRIKZIIY-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 130665257
1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
CID 140510745
2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate
CID 19434518
9-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 82395177
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772
4-[[(1S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122034893
2,4-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 19699282
(2R)-4,6-difluoro-2,3-dihydro-1H-inden-2-amine
CID 99644311
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
5-sulfo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 22003034

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 177309525) is 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is O=C(O)C1CCc2c(F)cc(F)cc2C1.
What is the InChIKey of 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is LOGMPRFRIKZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-8-4-7-3-6(11(14)15)1-2-9(7)10(13)5-8/h4-6H,1-3H2,(H,14,15).
What are the key properties of 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 212.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 177309525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).