3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole

C16H9F4N — CID 172643197

IUPAC3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole
SMILESFC(F)=C(c1cc(F)cc(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H9F4N/c17-10-5-9(6-11(18)7-10)15(16(19)20)13-8-21-14-4-2-1-3-12(13)14/h1-8,21H
InChIKeyAIMOPLDRYGAWCK-UHFFFAOYSA-N
MW291.25 g/mol
LogP5.10
Rot. Bonds2

About 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole

3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole (PubChem CID 172643197) has the molecular formula C16H9F4N and a molecular weight of 291.25 g/mol. Its IUPAC name is 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole.

Molecular Properties

Compound Name3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole
PubChem CID172643197
Molecular FormulaC16H9F4N
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole
SMILESFC(F)=C(c1cc(F)cc(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H9F4N/c17-10-5-9(6-11(18)7-10)15(16(19)20)13-8-21-14-4-2-1-3-12(13)14/h1-8,21H
InChIKeyAIMOPLDRYGAWCK-UHFFFAOYSA-N
XLogP5.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.25
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole
CID 172643302
3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole
CID 172643194
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 4030553
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
CID 154708719
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
2-[(4-chlorophenyl)-(1H-indol-3-yl)methylidene]propanedinitrile
CID 154708723
sodium 1H-indole-3-carboxylate
CID 23698293

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole?
The IUPAC name of 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole (CID 172643197) is 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole.
What is the SMILES notation for 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole?
The canonical SMILES for 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole is FC(F)=C(c1cc(F)cc(F)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole?
The InChIKey is AIMOPLDRYGAWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N/c17-10-5-9(6-11(18)7-10)15(16(19)20)13-8-21-14-4-2-1-3-12(13)14/h1-8,21H.
What are the key properties of 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole?
3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole has a molecular weight of 291.25 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole is sourced from PubChem (CID 172643197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).