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

C10H12FNO — CID 84657879

IUPAC3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol
SMILESCC(F)C1CNc2c(O)cccc21
InChIInChI=1S/C10H12FNO/c1-6(11)8-5-12-10-7(8)3-2-4-9(10)13/h2-4,6,8,12-13H,5H2,1H3
InChIKeyCEFALXNLQVGHRR-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.26
Rot. Bonds1

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

3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol (PubChem CID 84657879) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol.

Molecular Properties

Compound Name3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol
PubChem CID84657879
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol
SMILESCC(F)C1CNc2c(O)cccc21
InChIInChI=1S/C10H12FNO/c1-6(11)8-5-12-10-7(8)3-2-4-9(10)13/h2-4,6,8,12-13H,5H2,1H3
InChIKeyCEFALXNLQVGHRR-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-indol-5-ol
CID 10034684
1,2,3,4-Tetrahydroquinolin-8-ol
CID 241490
2-Methyl-1,2,3,4-tetrahydroquinolin-8-ol
CID 3822735
7-Methoxy-2,3-dihydro-1H-indole
CID 14849554
2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-8-ol
CID 3684642
(3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol
CID 162994434
2,3-Dihydro-1H-indol-7-ol
CID 13699411
8-Quinolinol, 1,2-dihydro-2,2,4-trimethyl-
CID 600010
2-Methyl-1,2,3,4-tetrahydroquinolin-8-ol--hydrogen chloride (1/1)
CID 20847991
2,3-dihydro-1H-indol-7-ol hydrochloride
CID 72710387
4-Methyl-1,2,3,4-tetrahydroquinolin-8-ol hydrobromide
CID 75456781
(2R)-2-(2-hydroxy-6-methylanilino)-4-methylpentanenitrile
CID 9837344

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol?
The IUPAC name of 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol (CID 84657879) is 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol.
What is the SMILES notation for 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol?
The canonical SMILES for 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol is CC(F)C1CNc2c(O)cccc21.
What is the InChIKey of 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol?
The InChIKey is CEFALXNLQVGHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6(11)8-5-12-10-7(8)3-2-4-9(10)13/h2-4,6,8,12-13H,5H2,1H3.
What are the key properties of 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol?
3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol has a molecular weight of 181.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol is sourced from PubChem (CID 84657879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).