4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole

C14H18FNO — CID 126732660

IUPAC4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole
SMILESCC(C)Oc1ccc2[nH]c(C(C)C)cc2c1F
InChIInChI=1S/C14H18FNO/c1-8(2)12-7-10-11(16-12)5-6-13(14(10)15)17-9(3)4/h5-9,16H,1-4H3
InChIKeyHOQWHOKSTCFUJE-UHFFFAOYSA-N
MW235.30 g/mol
LogP4.22
Rot. Bonds3

About 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole

4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole (PubChem CID 126732660) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole.

Molecular Properties

Compound Name4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole
PubChem CID126732660
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole
SMILESCC(C)Oc1ccc2[nH]c(C(C)C)cc2c1F
InChIInChI=1S/C14H18FNO/c1-8(2)12-7-10-11(16-12)5-6-13(14(10)15)17-9(3)4/h5-9,16H,1-4H3
InChIKeyHOQWHOKSTCFUJE-UHFFFAOYSA-N
XLogP4.22
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole?
The IUPAC name of 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole (CID 126732660) is 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole.
What is the SMILES notation for 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole?
The canonical SMILES for 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole is CC(C)Oc1ccc2[nH]c(C(C)C)cc2c1F.
What is the InChIKey of 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole?
The InChIKey is HOQWHOKSTCFUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-8(2)12-7-10-11(16-12)5-6-13(14(10)15)17-9(3)4/h5-9,16H,1-4H3.
What are the key properties of 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole?
4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole has a molecular weight of 235.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole is sourced from PubChem (CID 126732660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).