6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine

C18H20BrFN2O — CID 118597098

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(Br)cc1C21C=C(F)C(N)=N1
InChIInChI=1S/C18H20BrFN2O/c1-23-13-4-6-17(7-5-13)9-11-2-3-12(19)8-14(11)18(17)10-15(20)16(21)22-18/h2-3,8,10,13H,4-7,9H2,1H3,(H2,21,22)
InChIKeyCKPZOGJIVPWICC-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.00
Rot. Bonds1

About 6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine

6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine (PubChem CID 118597098) has the molecular formula C18H20BrFN2O and a molecular weight of 379.27 g/mol.

Molecular Properties

Compound Name6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine
PubChem CID118597098
Molecular FormulaC18H20BrFN2O
Molecular Weight379.27 g/mol
Exact Mass378.07
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(Br)cc1C21C=C(F)C(N)=N1
InChIInChI=1S/C18H20BrFN2O/c1-23-13-4-6-17(7-5-13)9-11-2-3-12(19)8-14(11)18(17)10-15(20)16(21)22-18/h2-3,8,10,13H,4-7,9H2,1H3,(H2,21,22)
InChIKeyCKPZOGJIVPWICC-UHFFFAOYSA-N
XLogP4.00
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 123848774
CID 123848774
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CID 161256949
CID 161256949
CID 67979593
CID 67979593
CID 123892667
CID 123892667
CID 162001250
CID 162001250
6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
CID 71269733
N-(6-bromo-1-ethenyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-yl)-2-methylpropane-2-sulfinamide
CID 131741307
CID 158561055
CID 158561055
CID 159270109
CID 159270109
CID 58197521
CID 58197521
CID 58197880
CID 58197880

Frequently Asked Questions

What is the IUPAC name of 6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine?
The IUPAC name of 6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine (CID 118597098) is not available.
What is the SMILES notation for 6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine?
The canonical SMILES for 6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine is COC1CCC2(CC1)Cc1ccc(Br)cc1C21C=C(F)C(N)=N1.
What is the InChIKey of 6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine?
The InChIKey is CKPZOGJIVPWICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O/c1-23-13-4-6-17(7-5-13)9-11-2-3-12(19)8-14(11)18(17)10-15(20)16(21)22-18/h2-3,8,10,13H,4-7,9H2,1H3,(H2,21,22).
What are the key properties of 6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine?
6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine has a molecular weight of 379.27 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine is sourced from PubChem (CID 118597098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).