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

C9H10FNO — CID 84652620

IUPAC2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol
SMILESOc1cccc2c1NC(CF)C2
InChIInChI=1S/C9H10FNO/c10-5-7-4-6-2-1-3-8(12)9(6)11-7/h1-3,7,11-12H,4-5H2
InChIKeyQKSJBHNVKDYUPK-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.70
Rot. Bonds1

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

2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol (PubChem CID 84652620) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol
PubChem CID84652620
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol
SMILESOc1cccc2c1NC(CF)C2
InChIInChI=1S/C9H10FNO/c10-5-7-4-6-2-1-3-8(12)9(6)11-7/h1-3,7,11-12H,4-5H2
InChIKeyQKSJBHNVKDYUPK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol?
The IUPAC name of 2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol (CID 84652620) is 2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol.
What is the SMILES notation for 2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol?
The canonical SMILES for 2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol is Oc1cccc2c1NC(CF)C2.
What is the InChIKey of 2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol?
The InChIKey is QKSJBHNVKDYUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-5-7-4-6-2-1-3-8(12)9(6)11-7/h1-3,7,11-12H,4-5H2.
What are the key properties of 2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol?
2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol has a molecular weight of 167.18 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol is sourced from PubChem (CID 84652620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).