2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride

C12H7F6NO — CID 175473195

IUPAC2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride
SMILESCn1cc(C(F)(F)C(=O)F)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H7F6NO/c1-19-5-8(11(14,15)10(13)20)7-3-2-6(4-9(7)19)12(16,17)18/h2-5H,1H3
InChIKeyCARMWZORJOTJFP-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.79
Rot. Bonds2

About 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride

2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride (PubChem CID 175473195) has the molecular formula C12H7F6NO and a molecular weight of 295.18 g/mol. Its IUPAC name is 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride
PubChem CID175473195
Molecular FormulaC12H7F6NO
Molecular Weight295.18 g/mol
Exact Mass295.04
IUPAC Name2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride
SMILESCn1cc(C(F)(F)C(=O)F)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H7F6NO/c1-19-5-8(11(14,15)10(13)20)7-3-2-6(4-9(7)19)12(16,17)18/h2-5H,1H3
InChIKeyCARMWZORJOTJFP-UHFFFAOYSA-N
XLogP3.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]propanal
CID 174647556
2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 86664378
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
CID 105485238
2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117122078
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
3-(2-fluoropropan-2-yl)-1-methylindol-6-ol
CID 84675129
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707
N-(5-cyano-1-methylindol-3-yl)-1-methyl-6-(trifluoromethyl)indole-3-carboxamide
CID 170653150
1-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 117122110
6-bromo-3-(1,1-difluoroethyl)-1-methylindole
CID 84713699
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
CID 117196130
2,7-bis(trifluoromethyl)carbazol-9-amine
CID 139575648

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride?
The IUPAC name of 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride (CID 175473195) is 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride?
The canonical SMILES for 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride is Cn1cc(C(F)(F)C(=O)F)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride?
The InChIKey is CARMWZORJOTJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6NO/c1-19-5-8(11(14,15)10(13)20)7-3-2-6(4-9(7)19)12(16,17)18/h2-5H,1H3.
What are the key properties of 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride?
2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride has a molecular weight of 295.18 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride is sourced from PubChem (CID 175473195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).