1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol

C12H14FNO — CID 117197609

IUPAC1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1c[nH]c2c(F)cccc12
InChIInChI=1S/C12H14FNO/c1-12(2,15)6-8-7-14-11-9(8)4-3-5-10(11)13/h3-5,7,14-15H,6H2,1-2H3
InChIKeyCVNSYOOPMDAEPK-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.62
Rot. Bonds2

About 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol

1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol (PubChem CID 117197609) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol
PubChem CID117197609
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1c[nH]c2c(F)cccc12
InChIInChI=1S/C12H14FNO/c1-12(2,15)6-8-7-14-11-9(8)4-3-5-10(11)13/h3-5,7,14-15H,6H2,1-2H3
InChIKeyCVNSYOOPMDAEPK-UHFFFAOYSA-N
XLogP2.62
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol (CID 117197609) is 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol is CC(C)(O)Cc1c[nH]c2c(F)cccc12.
What is the InChIKey of 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol?
The InChIKey is CVNSYOOPMDAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2,15)6-8-7-14-11-9(8)4-3-5-10(11)13/h3-5,7,14-15H,6H2,1-2H3.
What are the key properties of 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol?
1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol has a molecular weight of 207.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117197609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).