5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid

C11H10FNO3 — CID 116531327

IUPAC5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid
SMILESO=CNC1(C(=O)O)CCc2cc(F)ccc21
InChIInChI=1S/C11H10FNO3/c12-8-1-2-9-7(5-8)3-4-11(9,10(15)16)13-6-14/h1-2,5-6H,3-4H2,(H,13,14)(H,15,16)
InChIKeyQEZZULZXYVNVJE-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.80
Rot. Bonds3

About 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid

5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid (PubChem CID 116531327) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid
PubChem CID116531327
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid
SMILESO=CNC1(C(=O)O)CCc2cc(F)ccc21
InChIInChI=1S/C11H10FNO3/c12-8-1-2-9-7(5-8)3-4-11(9,10(15)16)13-6-14/h1-2,5-6H,3-4H2,(H,13,14)(H,15,16)
InChIKeyQEZZULZXYVNVJE-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
CID 116531255
1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531273
1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531279
5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide
CID 116531217
6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
CID 105438538
6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138110145
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
5-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)furan-2-carboxylic acid
CID 106946439
7-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 105481659
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid (CID 116531327) is 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid is O=CNC1(C(=O)O)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is QEZZULZXYVNVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-1-2-9-7(5-8)3-4-11(9,10(15)16)13-6-14/h1-2,5-6H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid?
5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 116531327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).