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

C24H22F2N2 — CID 160722505

IUPAC6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane
SMILESCc1ccc2c(c1)C(F)(F)c1cc(C3=CN=C(C4CC5(CC5)CN4)C3)ccc1-2
InChIInChI=1S/C24H22F2N2/c1-14-2-4-17-18-5-3-15(9-20(18)24(25,26)19(17)8-14)16-10-21(27-12-16)22-11-23(6-7-23)13-28-22/h2-5,8-9,12,22,28H,6-7,10-11,13H2,1H3
InChIKeyZHDGFSJCPXKSDA-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.44
Rot. Bonds2

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

6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane (PubChem CID 160722505) has the molecular formula C24H22F2N2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane
PubChem CID160722505
Molecular FormulaC24H22F2N2
Molecular Weight376.45 g/mol
Exact Mass376.18
IUPAC Name6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane
SMILESCc1ccc2c(c1)C(F)(F)c1cc(C3=CN=C(C4CC5(CC5)CN4)C3)ccc1-2
InChIInChI=1S/C24H22F2N2/c1-14-2-4-17-18-5-3-15(9-20(18)24(25,26)19(17)8-14)16-10-21(27-12-16)22-11-23(6-7-23)13-28-22/h2-5,8-9,12,22,28H,6-7,10-11,13H2,1H3
InChIKeyZHDGFSJCPXKSDA-UHFFFAOYSA-N
XLogP5.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
CID 146719464
5-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 173795343
2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole
CID 161155782

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane?
The IUPAC name of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane (CID 160722505) is 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-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-azaspiro[2.4]heptane?
The canonical SMILES for 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane is Cc1ccc2c(c1)C(F)(F)c1cc(C3=CN=C(C4CC5(CC5)CN4)C3)ccc1-2.
What is the InChIKey of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane?
The InChIKey is ZHDGFSJCPXKSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2/c1-14-2-4-17-18-5-3-15(9-20(18)24(25,26)19(17)8-14)16-10-21(27-12-16)22-11-23(6-7-23)13-28-22/h2-5,8-9,12,22,28H,6-7,10-11,13H2,1H3.
What are the key properties of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane?
6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane has a molecular weight of 376.45 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 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-azaspiro[2.4]heptane is sourced from PubChem (CID 160722505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).