1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol

C13H16FNO — CID 117121023

IUPAC1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
SMILESCn1cc(CC(C)(C)O)c2cc(F)ccc21
InChIInChI=1S/C13H16FNO/c1-13(2,16)7-9-8-15(3)12-5-4-10(14)6-11(9)12/h4-6,8,16H,7H2,1-3H3
InChIKeyCZFMVUZSAKXPDA-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.63
Rot. Bonds2

About 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol

1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol (PubChem CID 117121023) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
PubChem CID117121023
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
SMILESCn1cc(CC(C)(C)O)c2cc(F)ccc21
InChIInChI=1S/C13H16FNO/c1-13(2,16)7-9-8-15(3)12-5-4-10(14)6-11(9)12/h4-6,8,16H,7H2,1-3H3
InChIKeyCZFMVUZSAKXPDA-UHFFFAOYSA-N
XLogP2.63
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol (CID 117121023) is 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol is Cn1cc(CC(C)(C)O)c2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol?
The InChIKey is CZFMVUZSAKXPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2,16)7-9-8-15(3)12-5-4-10(14)6-11(9)12/h4-6,8,16H,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol?
1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol has a molecular weight of 221.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117121023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).