[4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H25F4NO2 — CID 24768488

IUPAC[4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C
InChIInChI=1S/C22H25F4NO2/c1-21(2)20(22(21,3)4)19(28)12-10-27(9-11-5-7-29-8-6-11)18-13(12)14(23)15(24)16(25)17(18)26/h10-11,20H,5-9H2,1-4H3
InChIKeyQZLZVRDMGYFIQN-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.49
Rot. Bonds4

About [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768488) has the molecular formula C22H25F4NO2 and a molecular weight of 411.44 g/mol. Its IUPAC name is [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768488
Molecular FormulaC22H25F4NO2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC Name[4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C
InChIInChI=1S/C22H25F4NO2/c1-21(2)20(22(21,3)4)19(28)12-10-27(9-11-5-7-29-8-6-11)18-13(12)14(23)15(24)16(25)17(18)26/h10-11,20H,5-9H2,1-4H3
InChIKeyQZLZVRDMGYFIQN-UHFFFAOYSA-N
XLogP5.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone with MolForge

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Related Compounds

[6-methyl-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11559434
[1-(oxan-4-ylmethyl)-7-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11546775
[1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-5-yl]carbamic acid
CID 122436808
[1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-6-yl] hydrogen carbonate
CID 122436807
[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11529923
2-methyl-1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-5-carboxylic acid
CID 122436820
5-bromo-6-ethoxycarbonyl-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
CID 142563819
1-(oxan-4-ylmethyl)indole-4-carboxylic acid
CID 62385888
2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate
CID 11569778
1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-7-yl]ethanone
CID 115105692
2-(oxan-4-yl)ethyl 2,3,4,5,6-pentafluorobenzoate
CID 163813042
methyl 5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxylate
CID 139329629

Frequently Asked Questions

What is the IUPAC name of [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768488) is [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C.
What is the InChIKey of [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is QZLZVRDMGYFIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4NO2/c1-21(2)20(22(21,3)4)19(28)12-10-27(9-11-5-7-29-8-6-11)18-13(12)14(23)15(24)16(25)17(18)26/h10-11,20H,5-9H2,1-4H3.
What are the key properties of [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 411.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).