(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

C19H14F5NO — CID 2402484

IUPAC(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1/C(=C/C(=O)c2c(F)c(F)c(F)c(F)c2F)C(C)(C)c2ccccc21
InChIInChI=1S/C19H14F5NO/c1-19(2)9-6-4-5-7-10(9)25(3)12(19)8-11(26)13-14(20)16(22)18(24)17(23)15(13)21/h4-8H,1-3H3/b12-8+
InChIKeyJLCYZTWKWPKYTJ-XYOKQWHBSA-N
MW367.32 g/mol
LogP4.88
Rot. Bonds2

About (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (PubChem CID 2402484) has the molecular formula C19H14F5NO and a molecular weight of 367.32 g/mol. Its IUPAC name is (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
PubChem CID2402484
Molecular FormulaC19H14F5NO
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1/C(=C/C(=O)c2c(F)c(F)c(F)c(F)c2F)C(C)(C)c2ccccc21
InChIInChI=1S/C19H14F5NO/c1-19(2)9-6-4-5-7-10(9)25(3)12(19)8-11(26)13-14(20)16(22)18(24)17(23)15(13)21/h4-8H,1-3H3/b12-8+
InChIKeyJLCYZTWKWPKYTJ-XYOKQWHBSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402485
(E,1E,5E)-1,5-bis(1,3,3-trimethylindol-2-ylidene)pent-3-en-2-one
CID 44669507
1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 622375
(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2339263
(2Z)-1-(3-bromophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 171981646
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2337442
(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanamide
CID 2330522
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(E,1E)-4-(4-methoxyphenyl)-1-(1,3,3-trimethylindol-2-ylidene)but-3-en-2-one
CID 2326972
4-[4-(dimethylamino)phenyl]-1-(1,3,3-trimethylindol-2-ylidene)but-3-en-2-one
CID 53420222
2-methyl-N-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethanethioyl]propanamide
CID 2428526

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The IUPAC name of (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (CID 2402484) is (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.
What is the SMILES notation for (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The canonical SMILES for (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is CN1/C(=C/C(=O)c2c(F)c(F)c(F)c(F)c2F)C(C)(C)c2ccccc21.
What is the InChIKey of (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The InChIKey is JLCYZTWKWPKYTJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C19H14F5NO/c1-19(2)9-6-4-5-7-10(9)25(3)12(19)8-11(26)13-14(20)16(22)18(24)17(23)15(13)21/h4-8H,1-3H3/b12-8+.
What are the key properties of (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone has a molecular weight of 367.32 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is sourced from PubChem (CID 2402484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).