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

C9H10FNO — CID 84652617

IUPAC3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol
SMILESOc1cccc2c1NCC2CF
InChIInChI=1S/C9H10FNO/c10-4-6-5-11-9-7(6)2-1-3-8(9)12/h1-3,6,11-12H,4-5H2
InChIKeyJXVZEEUACBALPF-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.87
Rot. Bonds1

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

3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol (PubChem CID 84652617) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol.

Molecular Properties

Compound Name3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol
PubChem CID84652617
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol
SMILESOc1cccc2c1NCC2CF
InChIInChI=1S/C9H10FNO/c10-4-6-5-11-9-7(6)2-1-3-8(9)12/h1-3,6,11-12H,4-5H2
InChIKeyJXVZEEUACBALPF-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.87
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 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol?
The IUPAC name of 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol (CID 84652617) is 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol.
What is the SMILES notation for 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol?
The canonical SMILES for 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol is Oc1cccc2c1NCC2CF.
What is the InChIKey of 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol?
The InChIKey is JXVZEEUACBALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-4-6-5-11-9-7(6)2-1-3-8(9)12/h1-3,6,11-12H,4-5H2.
What are the key properties of 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol?
3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol has a molecular weight of 167.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol is sourced from PubChem (CID 84652617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).