3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole

C17H13F2N — CID 172643302

IUPAC3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole
SMILESCc1ccc(C(=C(F)F)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13F2N/c1-11-6-8-12(9-7-11)16(17(18)19)14-10-20-15-5-3-2-4-13(14)15/h2-10,20H,1H3
InChIKeyWUSNKEPBOJCAAZ-UHFFFAOYSA-N
MW269.29 g/mol
LogP5.13
Rot. Bonds2

About 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole

3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole (PubChem CID 172643302) has the molecular formula C17H13F2N and a molecular weight of 269.29 g/mol. Its IUPAC name is 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole
PubChem CID172643302
Molecular FormulaC17H13F2N
Molecular Weight269.29 g/mol
Exact Mass269.10
IUPAC Name3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole
SMILESCc1ccc(C(=C(F)F)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13F2N/c1-11-6-8-12(9-7-11)16(17(18)19)14-10-20-15-5-3-2-4-13(14)15/h2-10,20H,1H3
InChIKeyWUSNKEPBOJCAAZ-UHFFFAOYSA-N
XLogP5.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[2,2-difluoro-1-(4-phenylphenyl)ethenyl]-1H-indole
CID 172643194
3-[1-(3,5-difluorophenyl)-2,2-difluoroethenyl]-1H-indole
CID 172643197
2-[(4-chlorophenyl)-(1H-indol-3-yl)methylidene]propanedinitrile
CID 154708723
2-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
CID 154708719
1-(1H-indol-3-yl)-3-(4-methylphenyl)propane-1,2-dione
CID 160732644
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795
2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
CID 139374699
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide
CID 3390781
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole?
The IUPAC name of 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole (CID 172643302) is 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole.
What is the SMILES notation for 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole?
The canonical SMILES for 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole is Cc1ccc(C(=C(F)F)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole?
The InChIKey is WUSNKEPBOJCAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N/c1-11-6-8-12(9-7-11)16(17(18)19)14-10-20-15-5-3-2-4-13(14)15/h2-10,20H,1H3.
What are the key properties of 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole?
3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole has a molecular weight of 269.29 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole is sourced from PubChem (CID 172643302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).