1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol

C14H20FNO — CID 117200069

IUPAC1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
SMILESCCN1CC(CC(C)(C)O)c2c(F)cccc21
InChIInChI=1S/C14H20FNO/c1-4-16-9-10(8-14(2,3)17)13-11(15)6-5-7-12(13)16/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyFAZZWYXTMWINPS-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.91
Rot. Bonds3

About 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol

1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol (PubChem CID 117200069) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
PubChem CID117200069
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
SMILESCCN1CC(CC(C)(C)O)c2c(F)cccc21
InChIInChI=1S/C14H20FNO/c1-4-16-9-10(8-14(2,3)17)13-11(15)6-5-7-12(13)16/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyFAZZWYXTMWINPS-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol (CID 117200069) is 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol is CCN1CC(CC(C)(C)O)c2c(F)cccc21.
What is the InChIKey of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol?
The InChIKey is FAZZWYXTMWINPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-16-9-10(8-14(2,3)17)13-11(15)6-5-7-12(13)16/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol?
1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol has a molecular weight of 237.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117200069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).