7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid

C10H9FO4 — CID 122235955

IUPAC7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CC(O)c2ccc(F)cc2O1
InChIInChI=1S/C10H9FO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-3,7,9,12H,4H2,(H,13,14)
InChIKeySEWNLOQYCUTBTN-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.09
Rot. Bonds1

About 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid

7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 122235955) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID122235955
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CC(O)c2ccc(F)cc2O1
InChIInChI=1S/C10H9FO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-3,7,9,12H,4H2,(H,13,14)
InChIKeySEWNLOQYCUTBTN-UHFFFAOYSA-N
XLogP1.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715755
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
4-acetyloxy-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 119027398
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951928
7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715803
6-fluoro-2,3-dihydro-1-benzofuran-3-ol
CID 79982529

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 122235955) is 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid is O=C(O)C1CC(O)c2ccc(F)cc2O1.
What is the InChIKey of 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is SEWNLOQYCUTBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-3,7,9,12H,4H2,(H,13,14).
What are the key properties of 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid?
7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 212.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 122235955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).