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

C24H21BrF2N2 — CID 148987903

IUPAC6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
SMILESCN1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1
InChIInChI=1S/C24H21BrF2N2/c1-29-13-23(6-7-23)11-22(29)21-9-15(12-28-21)14-2-4-17-18-5-3-16(25)10-20(18)24(26,27)19(17)8-14/h2-5,8,10,12,22H,6-7,9,11,13H2,1H3
InChIKeyPXCYSCYCRAYHRN-UHFFFAOYSA-N
MW455.35 g/mol
LogP6.24
Rot. Bonds2

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

6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane (PubChem CID 148987903) has the molecular formula C24H21BrF2N2 and a molecular weight of 455.35 g/mol. Its IUPAC name is 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
PubChem CID148987903
Molecular FormulaC24H21BrF2N2
Molecular Weight455.35 g/mol
Exact Mass454.09
IUPAC Name6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
SMILESCN1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1
InChIInChI=1S/C24H21BrF2N2/c1-29-13-23(6-7-23)11-22(29)21-9-15(12-28-21)14-2-4-17-18-5-3-16(25)10-20(18)24(26,27)19(17)8-14/h2-5,8,10,12,22H,6-7,9,11,13H2,1H3
InChIKeyPXCYSCYCRAYHRN-UHFFFAOYSA-N
XLogP6.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 56.24
H-Bond Donors ≤ 50
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
tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 148182436
tert-butyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 158753176
6-(7-bromo-9H-fluoren-2-yl)-3-ethyl-2-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine
CID 91506784

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane (CID 148987903) is 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane is CN1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.
What is the InChIKey of 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?
The InChIKey is PXCYSCYCRAYHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrF2N2/c1-29-13-23(6-7-23)11-22(29)21-9-15(12-28-21)14-2-4-17-18-5-3-16(25)10-20(18)24(26,27)19(17)8-14/h2-5,8,10,12,22H,6-7,9,11,13H2,1H3.
What are the key properties of 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?
6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane has a molecular weight of 455.35 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 148987903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).