1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol

C12H14FNO — CID 117195228

IUPAC1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H14FNO/c1-12(2,15)7-10-6-8-5-9(13)3-4-11(8)14-10/h3-6,14-15H,7H2,1-2H3
InChIKeyHVBMMJJQZMOTSI-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.62
Rot. Bonds2

About 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol

1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol (PubChem CID 117195228) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
PubChem CID117195228
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H14FNO/c1-12(2,15)7-10-6-8-5-9(13)3-4-11(8)14-10/h3-6,14-15H,7H2,1-2H3
InChIKeyHVBMMJJQZMOTSI-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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Related Compounds

3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
1-(5-fluoro-1H-indol-2-yl)propan-2-amine
CID 10058400
5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
CID 117176864
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
CID 53398780
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
CID 89311699
5-fluoro-2-pentyl-1H-indole;3,3,3-trifluoroprop-1-ene
CID 159912969
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585
1-(5-fluoro-1H-indol-2-yl)butan-2-amine
CID 131338781
2-(2-hydroxy-2-methylpropyl)-1H-indol-7-ol
CID 117197112
2-methyl-1-(2-methyl-1H-indol-5-yl)propan-2-ol
CID 117204563

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol (CID 117195228) is 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol is CC(C)(O)Cc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol?
The InChIKey is HVBMMJJQZMOTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2,15)7-10-6-8-5-9(13)3-4-11(8)14-10/h3-6,14-15H,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol?
1-(5-fluoro-1H-indol-2-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-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117195228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).