2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol

C14H18FNO — CID 117121050

IUPAC2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol
SMILESCC(CO)c1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C14H18FNO/c1-9(2)16-7-13(10(3)8-17)12-6-11(15)4-5-14(12)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyNHACKOVTBHPCAC-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.46
Rot. Bonds3

About 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol

2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol (PubChem CID 117121050) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol
PubChem CID117121050
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol
SMILESCC(CO)c1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C14H18FNO/c1-9(2)16-7-13(10(3)8-17)12-6-11(15)4-5-14(12)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyNHACKOVTBHPCAC-UHFFFAOYSA-N
XLogP3.46
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol?
The IUPAC name of 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol (CID 117121050) is 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol?
The canonical SMILES for 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol is CC(CO)c1cn(C(C)C)c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol?
The InChIKey is NHACKOVTBHPCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9(2)16-7-13(10(3)8-17)12-6-11(15)4-5-14(12)16/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol?
2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol has a molecular weight of 235.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol is sourced from PubChem (CID 117121050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).