6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane

C25H24F2N2 — CID 146719464

IUPAC6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
SMILESCc1ccc2c(c1)C(F)(F)c1cc(C3=CN=C(C4CC5(CC5)CN4C)C3)ccc1-2
InChIInChI=1S/C25H24F2N2/c1-15-3-5-18-19-6-4-16(10-21(19)25(26,27)20(18)9-15)17-11-22(28-13-17)23-12-24(7-8-24)14-29(23)2/h3-6,9-10,13,23H,7-8,11-12,14H2,1-2H3
InChIKeyREPSAEGNGYFTEP-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.79
Rot. Bonds2

About 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane

6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane (PubChem CID 146719464) has the molecular formula C25H24F2N2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
PubChem CID146719464
Molecular FormulaC25H24F2N2
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
SMILESCc1ccc2c(c1)C(F)(F)c1cc(C3=CN=C(C4CC5(CC5)CN4C)C3)ccc1-2
InChIInChI=1S/C25H24F2N2/c1-15-3-5-18-19-6-4-16(10-21(19)25(26,27)20(18)9-15)17-11-22(28-13-17)23-12-24(7-8-24)14-29(23)2/h3-6,9-10,13,23H,7-8,11-12,14H2,1-2H3
InChIKeyREPSAEGNGYFTEP-UHFFFAOYSA-N
XLogP5.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
CID 148987903
8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene
CID 155108146
3-[(2Z)-2-[(2E,4E,6E)-7-[5-fluoro-3,3-dimethyl-1-[3-(trimethylazaniumyl)propyl]-3a,4,5,6,7,7a-hexahydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3,5-trimethyl-1H-inden-1-yl]propyl-trimethylazanium
CID 160509905
2-(1-methylpyrrolidin-2-yl)-4-(9,9,10,10-tetrafluorophenanthren-2-yl)-3H-pyrrole
CID 160434265
6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane
CID 160722505
tert-butyl 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 161246464

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane (CID 146719464) is 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane is Cc1ccc2c(c1)C(F)(F)c1cc(C3=CN=C(C4CC5(CC5)CN4C)C3)ccc1-2.
What is the InChIKey of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?
The InChIKey is REPSAEGNGYFTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2/c1-15-3-5-18-19-6-4-16(10-21(19)25(26,27)20(18)9-15)17-11-22(28-13-17)23-12-24(7-8-24)14-29(23)2/h3-6,9-10,13,23H,7-8,11-12,14H2,1-2H3.
What are the key properties of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?
6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane has a molecular weight of 390.48 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 146719464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).