2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol

C10H12FNO — CID 84657885

IUPAC2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol
SMILESCC(F)C1Cc2cccc(O)c2N1
InChIInChI=1S/C10H12FNO/c1-6(11)8-5-7-3-2-4-9(13)10(7)12-8/h2-4,6,8,12-13H,5H2,1H3
InChIKeyGBJCCCHRNDKYMI-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.09
Rot. Bonds1

About 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol

2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol (PubChem CID 84657885) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol.

Molecular Properties

Compound Name2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol
PubChem CID84657885
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol
SMILESCC(F)C1Cc2cccc(O)c2N1
InChIInChI=1S/C10H12FNO/c1-6(11)8-5-7-3-2-4-9(13)10(7)12-8/h2-4,6,8,12-13H,5H2,1H3
InChIKeyGBJCCCHRNDKYMI-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol?
The IUPAC name of 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol (CID 84657885) is 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol.
What is the SMILES notation for 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol?
The canonical SMILES for 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol is CC(F)C1Cc2cccc(O)c2N1.
What is the InChIKey of 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol?
The InChIKey is GBJCCCHRNDKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6(11)8-5-7-3-2-4-9(13)10(7)12-8/h2-4,6,8,12-13H,5H2,1H3.
What are the key properties of 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol?
2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol has a molecular weight of 181.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol is sourced from PubChem (CID 84657885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).