amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate

C10H10FNO2 — CID 146174041

IUPACamino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
SMILESNOC(=O)c1ccc(F)c2c1CCC2
InChIInChI=1S/C10H10FNO2/c11-9-5-4-8(10(13)14-12)6-2-1-3-7(6)9/h4-5H,1-3,12H2
InChIKeyPJBUIXIDBRTDGC-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.34
Rot. Bonds1

About amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate

amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 146174041) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Nameamino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID146174041
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Nameamino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
SMILESNOC(=O)c1ccc(F)c2c1CCC2
InChIInChI=1S/C10H10FNO2/c11-9-5-4-8(10(13)14-12)6-2-1-3-7(6)9/h4-5H,1-3,12H2
InChIKeyPJBUIXIDBRTDGC-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate (CID 146174041) is amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate is NOC(=O)c1ccc(F)c2c1CCC2.
What is the InChIKey of amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is PJBUIXIDBRTDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-9-5-4-8(10(13)14-12)6-2-1-3-7(6)9/h4-5H,1-3,12H2.
What are the key properties of amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 195.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 146174041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).