[1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol

C18H18FNO — CID 15177231

IUPAC[1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol
SMILESCC(C)c1c(CO)c(-c2ccc(F)cc2)c2ccccn12
InChIInChI=1S/C18H18FNO/c1-12(2)18-15(11-21)17(13-6-8-14(19)9-7-13)16-5-3-4-10-20(16)18/h3-10,12,21H,11H2,1-2H3
InChIKeyHRFDZUCELYSDBN-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.36
Rot. Bonds3

About [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol

[1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol (PubChem CID 15177231) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol
PubChem CID15177231
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name[1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol
SMILESCC(C)c1c(CO)c(-c2ccc(F)cc2)c2ccccn12
InChIInChI=1S/C18H18FNO/c1-12(2)18-15(11-21)17(13-6-8-14(19)9-7-13)16-5-3-4-10-20(16)18/h3-10,12,21H,11H2,1-2H3
InChIKeyHRFDZUCELYSDBN-UHFFFAOYSA-N
XLogP4.36
TPSA24.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol (CID 15177231) is [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol is CC(C)c1c(CO)c(-c2ccc(F)cc2)c2ccccn12.
What is the InChIKey of [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol?
The InChIKey is HRFDZUCELYSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-12(2)18-15(11-21)17(13-6-8-14(19)9-7-13)16-5-3-4-10-20(16)18/h3-10,12,21H,11H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol?
[1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol has a molecular weight of 283.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-propan-2-ylindolizin-2-yl]methanol is sourced from PubChem (CID 15177231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).