3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole

C19H16F3N — CID 156815770

IUPAC3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CC2CCC2)cc1
InChIInChI=1S/C19H16F3N/c20-13-6-4-12(5-7-13)18-15(8-11-2-1-3-11)16-9-14(21)10-17(22)19(16)23-18/h4-7,9-11,23H,1-3,8H2
InChIKeyQYLRYNUWGWIVJR-UHFFFAOYSA-N
MW315.34 g/mol
LogP5.59
Rot. Bonds3

About 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole

3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole (PubChem CID 156815770) has the molecular formula C19H16F3N and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
PubChem CID156815770
Molecular FormulaC19H16F3N
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CC2CCC2)cc1
InChIInChI=1S/C19H16F3N/c20-13-6-4-12(5-7-13)18-15(8-11-2-1-3-11)16-9-14(21)10-17(22)19(16)23-18/h4-7,9-11,23H,1-3,8H2
InChIKeyQYLRYNUWGWIVJR-UHFFFAOYSA-N
XLogP5.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Carbazole
CID 6854
2-Methylindole
CID 7224
2,3-Dimethylindole
CID 7053
2-Phenylindole
CID 13698
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
2,3-diphenyl-1H-indole
CID 77020
Flucindole
CID 38531
3H-Pyrido(3,4-b)indole, 4,9-dihydro-
CID 145772
1,2,3,4-Tetrahydrocarbazole
CID 13664
3-tert-butyl-9H-carbazole
CID 12117342
2-Trifluoromethyl-9H-Carbazole
CID 12169809
2-ethyl-9H-carbazole
CID 138537

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The IUPAC name of 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole (CID 156815770) is 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole.
What is the SMILES notation for 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The canonical SMILES for 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole is Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CC2CCC2)cc1.
What is the InChIKey of 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
The InChIKey is QYLRYNUWGWIVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N/c20-13-6-4-12(5-7-13)18-15(8-11-2-1-3-11)16-9-14(21)10-17(22)19(16)23-18/h4-7,9-11,23H,1-3,8H2.
What are the key properties of 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole?
3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole has a molecular weight of 315.34 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole is sourced from PubChem (CID 156815770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).