2-(1,1-difluoroethyl)-1-methylindol-4-ol

C11H11F2NO — CID 84678190

IUPAC2-(1,1-difluoroethyl)-1-methylindol-4-ol
SMILESCn1c(C(C)(F)F)cc2c(O)cccc21
InChIInChI=1S/C11H11F2NO/c1-11(12,13)10-6-7-8(14(10)2)4-3-5-9(7)15/h3-6,15H,1-2H3
InChIKeyHTLPSABSHNBXHW-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.00
Rot. Bonds1

About 2-(1,1-difluoroethyl)-1-methylindol-4-ol

2-(1,1-difluoroethyl)-1-methylindol-4-ol (PubChem CID 84678190) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-methylindol-4-ol.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-methylindol-4-ol
PubChem CID84678190
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name2-(1,1-difluoroethyl)-1-methylindol-4-ol
SMILESCn1c(C(C)(F)F)cc2c(O)cccc21
InChIInChI=1S/C11H11F2NO/c1-11(12,13)10-6-7-8(14(10)2)4-3-5-9(7)15/h3-6,15H,1-2H3
InChIKeyHTLPSABSHNBXHW-UHFFFAOYSA-N
XLogP3.00
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1,4-dimethylindole
CID 121356408
1-ethyl-2-(2-hydroxypropan-2-yl)indol-4-ol
CID 117120545
3-(4-hydroxy-1-methylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117194610
2-(2-aminopropan-2-yl)-1-propan-2-ylindol-4-ol
CID 117120582
2-(1,1-difluoroethyl)-1-benzothiophen-4-ol
CID 84680280
1-tert-butylindol-4-ol
CID 135393981
2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
CID 137016984
(2S)-2-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 110835775
3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985713
2,2-dimethyl-3-[1-methyl-4-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117194282
4-methoxy-1-methylindol-2-ol
CID 57183322
1-ethyl-2-(ethylaminomethyl)indol-4-ol
CID 117173987

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-methylindol-4-ol?
The IUPAC name of 2-(1,1-difluoroethyl)-1-methylindol-4-ol (CID 84678190) is 2-(1,1-difluoroethyl)-1-methylindol-4-ol.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-methylindol-4-ol?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-methylindol-4-ol is Cn1c(C(C)(F)F)cc2c(O)cccc21.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-methylindol-4-ol?
The InChIKey is HTLPSABSHNBXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-11(12,13)10-6-7-8(14(10)2)4-3-5-9(7)15/h3-6,15H,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-1-methylindol-4-ol?
2-(1,1-difluoroethyl)-1-methylindol-4-ol has a molecular weight of 211.21 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-methylindol-4-ol is sourced from PubChem (CID 84678190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).