(2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C25H25F7N2O — CID 15983292

IUPAC(2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCC(C)c1ccc2c(c1)C1(CCN(CC(F)(F)C(F)(F)F)CC1)CN2C(=O)c1c(F)cccc1F
InChIInChI=1S/C25H25F7N2O/c1-15(2)16-6-7-20-17(12-16)23(8-10-33(11-9-23)14-24(28,29)25(30,31)32)13-34(20)22(35)21-18(26)4-3-5-19(21)27/h3-7,12,15H,8-11,13-14H2,1-2H3
InChIKeyIIVKVLRVSCGYKE-UHFFFAOYSA-N
MW502.47 g/mol
LogP6.28
Rot. Bonds4

About (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone

(2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 15983292) has the molecular formula C25H25F7N2O and a molecular weight of 502.47 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
PubChem CID15983292
Molecular FormulaC25H25F7N2O
Molecular Weight502.47 g/mol
Exact Mass502.19
IUPAC Name(2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCC(C)c1ccc2c(c1)C1(CCN(CC(F)(F)C(F)(F)F)CC1)CN2C(=O)c1c(F)cccc1F
InChIInChI=1S/C25H25F7N2O/c1-15(2)16-6-7-20-17(12-16)23(8-10-33(11-9-23)14-24(28,29)25(30,31)32)13-34(20)22(35)21-18(26)4-3-5-19(21)27/h3-7,12,15H,8-11,13-14H2,1-2H3
InChIKeyIIVKVLRVSCGYKE-UHFFFAOYSA-N
XLogP6.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 15983292) is (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone is CC(C)c1ccc2c(c1)C1(CCN(CC(F)(F)C(F)(F)F)CC1)CN2C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The InChIKey is IIVKVLRVSCGYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F7N2O/c1-15(2)16-6-7-20-17(12-16)23(8-10-33(11-9-23)14-24(28,29)25(30,31)32)13-34(20)22(35)21-18(26)4-3-5-19(21)27/h3-7,12,15H,8-11,13-14H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
(2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 502.47 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[1'-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 15983292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).