cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane

C24H31F3N2O — CID 156816192

IUPACcyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane
SMILESCCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC1CC1.OC1CCC1
InChIInChI=1S/C14H8F3N.C4H8O.C3H7N.C3H8/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;5-4-2-1-3-4;4-3-1-2-3;1-3-2/h1-7,18H;4-5H,1-3H2;3H,1-2,4H2;3H2,1-2H3
InChIKeyDIBPHZHQXSZKEK-UHFFFAOYSA-N
MW420.52 g/mol
LogP6.31
Rot. Bonds1

About cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane

cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane (PubChem CID 156816192) has the molecular formula C24H31F3N2O and a molecular weight of 420.52 g/mol. Its IUPAC name is cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane.

Molecular Properties

Compound Namecyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane
PubChem CID156816192
Molecular FormulaC24H31F3N2O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Namecyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane
SMILESCCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC1CC1.OC1CCC1
InChIInChI=1S/C14H8F3N.C4H8O.C3H7N.C3H8/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;5-4-2-1-3-4;4-3-1-2-3;1-3-2/h1-7,18H;4-5H,1-3H2;3H,1-2,4H2;3H2,1-2H3
InChIKeyDIBPHZHQXSZKEK-UHFFFAOYSA-N
XLogP6.31
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane?
The IUPAC name of cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane (CID 156816192) is cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane.
What is the SMILES notation for cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane?
The canonical SMILES for cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane is CCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.NC1CC1.OC1CCC1.
What is the InChIKey of cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane?
The InChIKey is DIBPHZHQXSZKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C4H8O.C3H7N.C3H8/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;5-4-2-1-3-4;4-3-1-2-3;1-3-2/h1-7,18H;4-5H,1-3H2;3H,1-2,4H2;3H2,1-2H3.
What are the key properties of cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane?
cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane has a molecular weight of 420.52 g/mol, XLogP of 6.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane is sourced from PubChem (CID 156816192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).